5-[[3-[(4-nitrophenyl)carbonylamino]-5-[(6-sulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonate

Systemtic Name: 5-[[3-[(4-nitrophenyl)carbonylamino]-5-[(6-sulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonate Openeye Name: 5-[[3-[(4-nitrobenzoyl)amino]-5-[(6-sulfonato-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate CAS Name: 5-[[[3-[[(4-nitrophenyl)-oxomethyl]amino]-5-[oxo-[(6-sulfonato-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonate IUPAC Name: 5-[[3-[(4-nitrobenzoyl)amino]-5-[(6-sulfonatonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate Traditional Name: 5-[[3-[(4-nitrobenzoyl)amino]-5-[(6-sulfonato-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate Formula: C35H22N4O11S2-2 MolecularWeight: 738.69938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C(=C1)NC(=O)C3=CC(=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C(=C1)NC(=O)C3=CC(=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)[O-]

InChI

InChI=1S/C35H24N4O11S2/c40-33(20-7-9-26(10-8-20)39(43)44)36-25-16-23(34(41)37-31-5-1-3-21-18-27(51(45,46)47)11-13-29(21)31)15-24(17-25)35(42)38-32-6-2-4-22-19-28(52(48,49)50)12-14-30(22)32/h1-19H,(H,36,40)(H,37,41)(H,38,42)(H,45,46,47)(H,48,49,50)/p-2