8-[[3-[(2-nitrophenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[[3-[(2-nitrophenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[3-[(2-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[[3-[[(2-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[3-[(2-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[3-[(2-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,6-trisulfonic acid Formula: C24H17N3O13S3 MolecularWeight: 651.59908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H17N3O13S3/c28-23(13-4-3-5-15(8-13)25-24(29)18-6-1-2-7-20(18)27(30)31)26-19-11-16(41(32,33)34)9-14-10-17(42(35,36)37)12-21(22(14)19)43(38,39)40/h1-12H,(H,25,29)(H,26,28)(H,32,33,34)(H,35,36,37)(H,38,39,40)