3-[[4-[(2,4-dimethylphenyl)diazenyl]-7-methyl-naphthalen-1-yl]diazenyl]-7-methyl-naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[4-[(2,4-dimethylphenyl)diazenyl]-7-methyl-naphthalen-1-yl]diazenyl]-7-methyl-naphthalene-1,5-disulfonic acid Openeye Name: 3-[[4-(2,4-dimethylphenyl)azo-7-methyl-1-naphthyl]azo]-7-methyl-naphthalene-1,5-disulfonic acid CAS Name: 3-[[4-(2,4-dimethylphenyl)azo-7-methyl-1-naphthalenyl]azo]-7-methylnaphthalene-1,5-disulfonic acid IUPAC Name: 3-[[4-[(2,4-dimethylphenyl)diazenyl]-7-methylnaphthalen-1-yl]diazenyl]-7-methylnaphthalene-1,5-disulfonic acid Traditional Name: 3-[[4-(2,4-dimethylphenyl)azo-7-methyl-1-naphthyl]azo]-7-methyl-naphthalene-1,5-disulfonic acid Formula: C30H26N4O6S2 MolecularWeight: 602.68064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=CC5=C(C=C(C=C5C(=C4)S(=O)(=O)O)C)S(=O)(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=CC5=C(C=C(C=C5C(=C4)S(=O)(=O)O)C)S(=O)(=O)O)C)C

InChI

InChI=1S/C30H26N4O6S2/c1-17-6-8-26(20(4)11-17)32-34-27-9-10-28(23-12-18(2)5-7-22(23)27)33-31-21-15-25-24(30(16-21)42(38,39)40)13-19(3)14-29(25)41(35,36)37/h5-16H,1-4H3,(H,35,36,37)(H,38,39,40)