3-[[4-[[4-(4-cyanobutan-2-ylamino)-2-methyl-phenyl]diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 3-[[4-[[4-(4-cyanobutan-2-ylamino)-2-methyl-phenyl]diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid Openeye Name: 3-[[4-[4-[(3-cyano-1-methyl-propyl)amino]-2-methyl-phenyl]azo-1-naphthyl]azo]benzenesulfonic acid CAS Name: 3-[[4-[4-(4-cyanobutan-2-ylamino)-2-methylphenyl]azo-1-naphthalenyl]azo]benzenesulfonic acid IUPAC Name: 3-[[4-[[4-(4-cyanobutan-2-ylamino)-2-methylphenyl]diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid Traditional Name: 3-[[4-[4-[(3-cyano-1-methyl-propyl)amino]-2-methyl-phenyl]azo-1-naphthyl]azo]besylic acid Formula: C28H26N6O3S MolecularWeight: 526.60944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(C)CCC#N)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC(=CC=C4)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(C)CCC#N)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC(=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C28H26N6O3S/c1-19-17-21(30-20(2)7-6-16-29)12-13-26(19)32-34-28-15-14-27(24-10-3-4-11-25(24)28)33-31-22-8-5-9-23(18-22)38(35,36)37/h3-5,8-15,17-18,20,30H,6-7H2,1-2H3,(H,35,36,37)