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

Systemtic Name: 7-[[4-[[4-[[4-[(4-aminophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]-2-methyl-phenyl]diazenyl]-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonic acid Openeye Name: 7-[4-[4-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azo-2-methyl-phenyl]azo-2-methyl-phenyl]azonaphthalene-1,3-disulfonic acid CAS Name: 7-[4-[4-[4-[[(4-aminophenyl)-oxomethyl]amino]-2-methylphenyl]azo-2-methylphenyl]azo-2-methylphenyl]azonaphthalene-1,3-disulfonic acid IUPAC Name: 7-[[4-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid Traditional Name: 7-[4-[4-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azo-2-methyl-phenyl]azo-2-methyl-phenyl]azonaphthalene-1,3-disulfonic acid Formula: C38H32N8O7S2 MolecularWeight: 776.84008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N=NC3=CC(=C(C=C3)N=NC4=CC(=C(C=C4)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N=NC3=CC(=C(C=C3)N=NC4=CC(=C(C=C4)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O)C)C

InChI

InChI=1S/C38H32N8O7S2/c1-22-16-28(40-38(47)25-4-7-27(39)8-5-25)10-13-34(22)44-41-29-11-14-35(23(2)17-29)45-42-30-12-15-36(24(3)18-30)46-43-31-9-6-26-19-32(54(48,49)50)21-37(33(26)20-31)55(51,52)53/h4-21H,39H2,1-3H3,(H,40,47)(H,48,49,50)(H,51,52,53)