3-[(4-methyl-3-nitro-phenyl)carbonylamino]-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]benzoic acid

Systemtic Name: 3-[(4-methyl-3-nitro-phenyl)carbonylamino]-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]benzoic acid Openeye Name: 3-[(4-methyl-3-nitro-benzoyl)amino]-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]benzoic acid CAS Name: 3-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-5-[oxo-[(4,6,8-trisulfo-1-naphthalenyl)amino]methyl]benzoic acid IUPAC Name: 3-[(4-methyl-3-nitrobenzoyl)amino]-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]benzoic acid Traditional Name: 3-[(4-methyl-3-nitro-benzoyl)amino]-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]benzoic acid Formula: C26H19N3O15S3 MolecularWeight: 709.63516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C26H19N3O15S3/c1-12-2-3-13(9-20(12)29(34)35)24(30)27-16-7-14(6-15(8-16)26(32)33)25(31)28-19-4-5-21(46(39,40)41)18-10-17(45(36,37)38)11-22(23(18)19)47(42,43)44/h2-11H,1H3,(H,27,30)(H,28,31)(H,32,33)(H,36,37,38)(H,39,40,41)(H,42,43,44)