8-[[4-methyl-3-[(4-methyl-3-nitro-phenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[[4-methyl-3-[(4-methyl-3-nitro-phenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[4-methyl-3-[(4-methyl-3-nitro-benzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[[4-methyl-3-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[[4-methyl-3-[(4-methyl-3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[4-methyl-3-[(4-methyl-3-nitro-benzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C26H21N3O13S3 MolecularWeight: 679.65224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H21N3O13S3/c1-13-3-5-15(9-20(13)28-26(31)16-6-4-14(2)21(10-16)29(32)33)25(30)27-19-7-8-22(44(37,38)39)18-11-17(43(34,35)36)12-23(24(18)19)45(40,41)42/h3-12H,1-2H3,(H,27,30)(H,28,31)(H,34,35,36)(H,37,38,39)(H,40,41,42)