3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoic acid

Systemtic Name: 3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoic acid Openeye Name: 3-[[2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoic acid CAS Name: 3-[[2-methyl-5-[(4,6,8-trisulfo-1-naphthalenyl)sulfamoyl]anilino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)sulfamoyl]phenyl]carbamoyl]-5-nitrobenzoic acid Traditional Name: 3-[[2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoic acid Formula: C25H19N3O16S4 MolecularWeight: 745.68886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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