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

Systemtic Name: 2-[4-[(4-azanyl-3-sulfo-phenyl)sulfonylamino]phenyl]butanedioic acid Openeye Name: 2-[4-[(4-amino-3-sulfo-phenyl)sulfonylamino]phenyl]butanedioic acid CAS Name: 2-[4-[(4-amino-3-sulfophenyl)sulfonylamino]phenyl]butanedioic acid IUPAC Name: 2-[4-[(4-amino-3-sulfophenyl)sulfonylamino]phenyl]butanedioic acid Traditional Name: 2-[4-[(4-amino-3-sulfo-phenyl)sulfonylamino]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)NS(=O)(=O)C2=CC(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

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

InChI

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