3-[(4-azanyl-2-sulfanyl-3-sulfo-phenyl)carbonylamino]benzene-1,2-disulfonic acid

Systemtic Name: 3-[(4-azanyl-2-sulfanyl-3-sulfo-phenyl)carbonylamino]benzene-1,2-disulfonic acid Openeye Name: 3-[(4-amino-2-sulfanyl-3-sulfo-benzoyl)amino]benzene-1,2-disulfonic acid CAS Name: 3-[[(4-amino-2-mercapto-3-sulfophenyl)-oxomethyl]amino]benzene-1,2-disulfonic acid IUPAC Name: 3-[(4-amino-2-sulfanyl-3-sulfobenzoyl)amino]benzene-1,2-disulfonic acid Traditional Name: 3-[(4-amino-2-mercapto-3-sulfo-benzoyl)amino]benzene-1,2-disulfonic acid Formula: C13H12N2O10S4 MolecularWeight: 484.50178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C2=C(C(=C(C=C2)N)S(=O)(=O)O)S

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C2=C(C(=C(C=C2)N)S(=O)(=O)O)S

InChI

InChI=1S/C13H12N2O10S4/c14-7-5-4-6(10(26)11(7)28(20,21)22)13(16)15-8-2-1-3-9(27(17,18)19)12(8)29(23,24)25/h1-5,26H,14H2,(H,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)