2-[4-[(4-azanyl-3-sulfo-phenyl)sulfamoyl]phenyl]butanedioic acid

Systemtic Name: 2-[4-[(4-azanyl-3-sulfo-phenyl)sulfamoyl]phenyl]butanedioic acid Openeye Name: 2-[4-[(4-amino-3-sulfo-phenyl)sulfamoyl]phenyl]butanedioic acid CAS Name: 2-[4-[(4-amino-3-sulfophenyl)sulfamoyl]phenyl]butanedioic acid IUPAC Name: 2-[4-[(4-amino-3-sulfophenyl)sulfamoyl]phenyl]butanedioic acid Traditional Name: 2-[4-[(4-amino-3-sulfo-phenyl)sulfamoyl]phenyl]succinic acid Formula: C16H16N2O9S2 MolecularWeight: 444.43624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)O)C(=O)O)S(=O)(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)O)C(=O)O)S(=O)(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C16H16N2O9S2/c17-13-6-3-10(7-14(13)29(25,26)27)18-28(23,24)11-4-1-9(2-5-11)12(16(21)22)8-15(19)20/h1-7,12,18H,8,17H2,(H,19,20)(H,21,22)(H,25,26,27)