HIT ID: HIT212655954
Cas No: 2353-45-9
分子式: C37H34N2Na2O10S3
分子量: 808.84
常用名: Fast Green FCF
氢键受体数 (HBA): 11
氢键供体数 (HBD): 1
LogP: 2.312153
IUPAC: disodium 2-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene)methyl]-5-hydroxybenzene-1-sulfonate
IUPAC: disodium 2-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene)methyl]-5-hydroxybenzene-1-sulfonate
SMILES: [Na+].[Na+].CCN(Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O)c1ccc(O)cc1S([O-])(=O)=O |c:24,27|
SMILES: [Na+].[Na+].CCN(Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O)c1ccc(O)cc1S([O-])(=O)=O |c:24,27|
InChI key: RZSYLLSAWYUBPE-UHFFFAOYSA-L
