7-[[4-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]carbamoyl]-8-oxidanyl-quinoline-5-sulfonic acid

Systemtic Name: 7-[[4-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]carbamoyl]-8-oxidanyl-quinoline-5-sulfonic acid Openeye Name: 7-[[4-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]carbamoyl]-8-hydroxy-quinoline-5-sulfonic acid CAS Name: 7-[[4-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfoanilino]-oxomethyl]-8-hydroxy-5-quinolinesulfonic acid IUPAC Name: 7-[[4-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfophenyl]carbamoyl]-8-hydroxyquinoline-5-sulfonic acid Traditional Name: 7-[[4-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]carbamoyl]-8-hydroxy-quinoline-5-sulfonic acid Formula: C24H19N3O11S3 MolecularWeight: 621.61616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H19N3O11S3/c25-15-7-5-13(19(10-15)39(30,31)32)3-4-14-6-8-16(11-20(14)40(33,34)35)27-24(29)18-12-21(41(36,37)38)17-2-1-9-26-22(17)23(18)28/h1-12,28H,25H2,(H,27,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)/b4-3+