8-[[4-methyl-3-[(4-nitro-2-sulfo-phenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[[4-methyl-3-[(4-nitro-2-sulfo-phenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[4-methyl-3-[(4-nitro-2-sulfo-benzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[[4-methyl-3-[[(4-nitro-2-sulfophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[[4-methyl-3-[(4-nitro-2-sulfobenzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[4-methyl-3-[(4-nitro-2-sulfo-benzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C25H19N3O16S4 MolecularWeight: 745.68886

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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=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=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=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C25H19N3O16S4/c1-12-2-3-13(8-19(12)27-25(30)16-5-4-14(28(31)32)9-21(16)47(39,40)41)24(29)26-18-6-7-20(46(36,37)38)17-10-15(45(33,34)35)11-22(23(17)18)48(42,43)44/h2-11H,1H3,(H,26,29)(H,27,30)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)