7-[[2-methyl-4-[[2-methyl-4-[(4-nitrophenyl)carbonylamino]phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[[2-methyl-4-[[2-methyl-4-[(4-nitrophenyl)carbonylamino]phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid Openeye Name: 7-[2-methyl-4-[2-methyl-4-[(4-nitrobenzoyl)amino]phenyl]azo-phenyl]azonaphthalene-1,3-disulfonic acid CAS Name: 7-[2-methyl-4-[2-methyl-4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]azophenyl]azonaphthalene-1,3-disulfonic acid IUPAC Name: 7-[[2-methyl-4-[[2-methyl-4-[(4-nitrobenzoyl)amino]phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid Traditional Name: 7-[2-methyl-4-[2-methyl-4-[(4-nitrobenzoyl)amino]phenyl]azo-phenyl]azonaphthalene-1,3-disulfonic acid Formula: C31H24N6O9S2 MolecularWeight: 688.68706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N=NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N=NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C31H24N6O9S2/c1-18-13-22(32-31(38)20-4-9-25(10-5-20)37(39)40)7-11-28(18)35-33-23-8-12-29(19(2)14-23)36-34-24-6-3-21-15-26(47(41,42)43)17-30(27(21)16-24)48(44,45)46/h3-17H,1-2H3,(H,32,38)(H,41,42,43)(H,44,45,46)