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

Systemtic Name: 5-[[3-[(3-nitrophenyl)carbonylamino]-5-[(6-sulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonate Openeye Name: 5-[[3-[(3-nitrobenzoyl)amino]-5-[(6-sulfonato-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate CAS Name: 5-[[[3-[[(3-nitrophenyl)-oxomethyl]amino]-5-[oxo-[(6-sulfonato-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonate IUPAC Name: 5-[[3-[(3-nitrobenzoyl)amino]-5-[(6-sulfonatonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonate Traditional Name: 5-[[3-[(3-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=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)[O-])C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)[O-])C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)[O-]

InChI

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