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Index of species in the CCCBDB by IUPAC International Chemical Identifier (INChI)

For information on INChI see http://www.iupac.org/inchi/

Molecules in the CCCBDB

For links to all experimental and calculated data in the CCCBDB click on the name in the following table.
casno formula name InChI InChIkey SMILES sketch other names
12385136 H- Hydrogen atom anion InChI=1S/H/q-1 KLGZELKXQMTEMM-UHFFFAOYSA-N [H-] H-   hydride
12385136 H Hydrogen atom InChI=1S/H YZCKVEUIGOORGS-UHFFFAOYSA-N [H] H   H-atom; Hydrogen; Hydrogen atom; Hydrogen radical
12385136 H+ Hydrogen atom cation InChI=1S/p+1 GPRLSGONYQIRFK-UHFFFAOYSA-N [H+] H+  
16873179 D- Deuterium atom anion InChI=1S/H/q-1/i1+1 KLGZELKXQMTEMM-OUBTZVSYSA-N [2H-] D-  
16873179 D Deuterium atom InChI=1S/H/i1+1 YZCKVEUIGOORGS-OUBTZVSYSA-N [2H] D   Deuterium; Deuterium atom
16873179 D+ Deuterium atom cation InChI=1S/p+1/i/hD GPRLSGONYQIRFK-DYCDLGHISA-N [2H+] D+  
13983205 HD Deuterium hydride InChI=1S/H2/h1H/i1+1 UFHFLCQGNIYNRP-OUBTZVSYSA-N [H][2H] sketch of s13983205.gif   Deuterium hydride; Deuterium, mol. with hydrogen; Hydrogen-d1
1333740 H2- hydrogen diatomic anion InChI=1S/H2/h1H/q-1 MHQRCAMTVYPALZ-UHFFFAOYSA-N [H][H-] sketch of s1333740q-1.gif  
1333740 H2 Hydrogen diatomic InChI=1S/H2/h1H UFHFLCQGNIYNRP-UHFFFAOYSA-N [H][H] sketch of s1333740.gif   Hydrogen; Molecular hydrogen; o-Hydrogen; p-Hydrogen; dihydrogen
1333740 H2+ Hydrogen cation InChI=1S/H2/h1H/q+1 ZZIJOQHRUPVPQC-UHFFFAOYSA-N [H][H+] sketch of s1333740q1.gif  
7782390 D2 Deuterium diatomic InChI=1S/H2/h1H/i1+1D UFHFLCQGNIYNRP-VVKOMZTBSA-N [2H][2H] sketch of s7782390.gif   Deuterium; diduterium
28132481 H3+ hydrogen trimer cation InChI=1S/H3/c1-2-3-1/q+1 RQZCXKHVAUFVMF-UHFFFAOYSA-N sketch of s28132481q1.gif  
7440597 He- Helium atom anion InChI=1S/He/q-1 GQCTUJCUOFABIY-UHFFFAOYSA-N [He-] He-  
7440597 He Helium atom InChI=1S/He SWQJXJOGLNCZEY-UHFFFAOYSA-N [He] He   Helium
7440597 He+ Helium atom cation InChI=1S/He/q+1 QLNXTEZOQCZJBA-UHFFFAOYSA-N [He+] He+  
9000184 He2+ helium dimer cation InChI=1S/He2/c1-2/q+1 ZAJTYDXIUNGESO-UHFFFAOYSA-N [He][He+] sketch of s9000184q1.gif  
9000219 HeH Helium hydride InChI=1S/HHe/h1H VFSHXFTVUHSLHV-UHFFFAOYSA-N [HeH] sketch of s9000219.gif  
9000219 HeH+ Helium hydride cation InChI=1S/HHe/h1H/q+1 HSFAAVLNFOAYQX-UHFFFAOYSA-N [He][H+] sketch of s9000219q1.gif  
7439932 Li- Lithium atom anion InChI=1S/Li/q-1 VSRVKRSRQFOUEF-UHFFFAOYSA-N [Li-] Li-  
7439932 Li Lithium atom InChI=1S/Li WHXSMMKQMYFTQS-UHFFFAOYSA-N [Li] Li   Lithium
7439932 Li+ Lithium atom cation InChI=1S/Li/q+1 HBBGRARXTFLTSG-UHFFFAOYSA-N [Li+] Li+  
7580678 LiH- lithium hydride anion InChI=1S/Li.H/q-1; ZQPORAMEHYRKLM-UHFFFAOYSA-N [LiH-] sketch of s7580678q-1.gif  
7580678 LiH Lithium Hydride InChI=1S/Li.H SIAPCJWMELPYOE-UHFFFAOYSA-N [LiH] sketch of s7580678.gif   Hydrure de lithium; Lithium hydride; Lithium hydride (LiH)
7580678 LiH+ lithium hydride cation InChI=1S/Li.H/q+1; HSOYNNFNUCWPIZ-UHFFFAOYSA-N [LiH+] sketch of s7580678q1.gif  
7440417 Be- Beryllium atom anion InChI=1S/Be/q-1 MKUXRYYRAPCTSE-UHFFFAOYSA-N [Be-] Be-  
7440417 Be Beryllium atom InChI=1S/Be ATBAMAFKBVZNFJ-UHFFFAOYSA-N [Be] Be   Beryllium; Beryllium-9; Glucinium; Glucinum
7440417 Be+ Beryllium atom cation InChI=1S/Be/q+1 FSZJGTOCGOQRRE-UHFFFAOYSA-N [Be+] Be+  
13597972 BeH- berylium monohydride anion InChI=1S/Be.H/q-1; XYJSQJZDMXOLES-UHFFFAOYSA-N [BeH-] sketch of s13597972q-1.gif  
13597972 BeH beryllium monohydride InChI=1S/Be.H AYBCUKQQDUJLQN-UHFFFAOYSA-N [BeH] sketch of s13597972.gif   Beryllium hydride
13597972 BeH+ beryllium monohydride cation InChI=1S/Be.H/q+1; ZMHJNSGNHYXBAE-UHFFFAOYSA-N [BeH+] sketch of s13597972q1.gif  
7787522 BeH2 beryllium dihydride InChI=1S/Be.2H RWASOQSEFLDYLC-UHFFFAOYSA-N [BeH2] sketch of s7787522.gif   Beryllium hydride
7787522 BeH2+ Beryllium dihydride cation InChI=1S/Be.2H/q+1;; LIYOQPNVGOXTMQ-UHFFFAOYSA-N [BeH2+] sketch of s7787522q1.gif  
7787522 BeH2+ Beryllium dihydride cation InChI=1S/Be.2H/q+1;; LIYOQPNVGOXTMQ-UHFFFAOYSA-N [BeH2+] sketch of s7787522q1.gif  
7440428 B- Boron atom anion InChI=1S/B/q-1 XGLYHUVZMIRFNT-UHFFFAOYSA-N [B-] B-  
7440428 B Boron atom InChI=1S/B ZOXJGFHDIHLPTG-UHFFFAOYSA-N [B] B  

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