2-oxidanyl-5-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)sulfamoyl]benzoic acid

Systemtic Name: 2-oxidanyl-5-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)sulfamoyl]benzoic acid Openeye Name: 2-hydroxy-5-[(8-hydroxy-3,6-disulfo-1-naphthyl)sulfamoyl]benzoic acid CAS Name: 2-hydroxy-5-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)sulfamoyl]benzoic acid IUPAC Name: 2-hydroxy-5-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)sulfamoyl]benzoic acid Traditional Name: 2-hydroxy-5-[(8-hydroxy-3,6-disulfo-1-naphthyl)sulfamoyl]benzoic acid Formula: C17H13NO12S3 MolecularWeight: 519.47962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C17H13NO12S3/c19-14-2-1-9(5-12(14)17(21)22)31(23,24)18-13-6-10(32(25,26)27)3-8-4-11(33(28,29)30)7-15(20)16(8)13/h1-7,18-20H,(H,21,22)(H,25,26,27)(H,28,29,30)