2-[(4-aminophenyl)carbonylamino]-5-[4-[(4-aminophenyl)carbonylamino]-3-sulfo-phenyl]benzenesulfonic acid

Systemtic Name: 2-[(4-aminophenyl)carbonylamino]-5-[4-[(4-aminophenyl)carbonylamino]-3-sulfo-phenyl]benzenesulfonic acid Openeye Name: 2-[(4-aminobenzoyl)amino]-5-[4-[(4-aminobenzoyl)amino]-3-sulfo-phenyl]benzenesulfonic acid CAS Name: 2-[[(4-aminophenyl)-oxomethyl]amino]-5-[4-[[(4-aminophenyl)-oxomethyl]amino]-3-sulfophenyl]benzenesulfonic acid IUPAC Name: 2-[(4-aminobenzoyl)amino]-5-[4-[(4-aminobenzoyl)amino]-3-sulfophenyl]benzenesulfonic acid Traditional Name: 2-[(4-aminobenzoyl)amino]-5-[4-[(4-aminobenzoyl)amino]-3-sulfo-phenyl]besylic acid Formula: C26H22N4O8S2 MolecularWeight: 582.60488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C26H22N4O8S2/c27-19-7-1-15(2-8-19)25(31)29-21-11-5-17(13-23(21)39(33,34)35)18-6-12-22(24(14-18)40(36,37)38)30-26(32)16-3-9-20(28)10-4-16/h1-14H,27-28H2,(H,29,31)(H,30,32)(H,33,34,35)(H,36,37,38)