4-[[4-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]sulfamoyl]-8-oxidanyl-quinoline-7-carboxylic acid; sodium

Systemtic Name: 4-[[4-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]sulfamoyl]-8-oxidanyl-quinoline-7-carboxylic acid; sodium Openeye Name: 4-[[4-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]sulfamoyl]-8-hydroxy-quinoline-7-carboxylic acid; sodium CAS Name: 4-[[4-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfophenyl]sulfamoyl]-8-hydroxy-7-quinolinecarboxylic acid; sodium IUPAC Name: 4-[[4-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfophenyl]sulfamoyl]-8-hydroxyquinoline-7-carboxylic acid; sodium Traditional Name: 4-[[4-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]sulfamoyl]-8-hydroxy-quinoline-7-carboxylic acid; sodium Formula: C24H19N3NaO11S3 MolecularWeight: 644.60593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)NS(=O)(=O)C3=C4C=CC(=C(C4=NC=C3)O)C(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)NS(=O)(=O)C3=C4C=CC(=C(C4=NC=C3)O)C(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C24H19N3O11S3.Na/c25-15-5-3-13(20(11-15)40(33,34)35)1-2-14-4-6-16(12-21(14)41(36,37)38)27-39(31,32)19-9-10-26-22-17(19)7-8-18(23(22)28)24(29)30;/h1-12,27-28H,25H2,(H,29,30)(H,33,34,35)(H,36,37,38);/b2-1+;