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

Systemtic Name: 8-[[3-[(3-nitrophenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[3-[(3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[[3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[3-[(3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[3-[(3-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(=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

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