|
IUPAC name
|
CHEMINF_000107 |
|
|
LexiChem
|
CHEMINF_000383 |
|
|
PubChem substance identifier (SID)
|
CHEMINF_000141 |
|
|
history
|
BFO_0000182 |
|
|
LexiChem version 2.2.0
|
CHEMINF_000384 |
|
|
Cactvs software library
|
CHEMINF_000385 |
|
|
sp hybridized
|
CHEMINF_000133 |
|
|
hybridization
|
CHEMINF_000091 |
|
|
undefined bond stereocenter count generated by the pubchem software library
|
CHEMINF_000375 |
|
|
sp2 hybridized
|
CHEMINF_000134 |
|
|
canonical smiles generated by OEChem
|
CHEMINF_000376 |
|
|
sp3 hybridized
|
CHEMINF_000135 |
|
|
OEChem software library version 1.9.0
|
CHEMINF_000378 |
|
|
Wiener polarity number descriptor
|
CHEMINF_000137 |
|
|
isomeric SMILES generated by OEChem
|
CHEMINF_000379 |
|
|
software implementation
|
CHEMINF_000139 |
|
|
structure complexity calculated by cactvs
|
CHEMINF_000390 |
|
|
atom
|
CHEBI_33250 |
|
|
tautomer count calculated by cactvs
|
CHEMINF_000391 |
|
|
isomeric SMILES format specification
|
CHEMINF_000150 |
|
