3-[[4-[(4-ethoxyphenyl)diazenyl]-5-methoxy-2-methyl-phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 3-[[4-[(4-ethoxyphenyl)diazenyl]-5-methoxy-2-methyl-phenyl]diazenyl]benzenesulfonic acid Openeye Name: 3-[4-(4-ethoxyphenyl)azo-5-methoxy-2-methyl-phenyl]azobenzenesulfonic acid CAS Name: 3-[4-(4-ethoxyphenyl)azo-5-methoxy-2-methylphenyl]azobenzenesulfonic acid IUPAC Name: 3-[[4-[(4-ethoxyphenyl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]benzenesulfonic acid Traditional Name: 3-(5-methoxy-2-methyl-4-p-phenetylazo-phenyl)azobesylic acid Formula: C22H22N4O5S MolecularWeight: 454.49888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=NC2=C(C=C(C(=C2)C)N=NC3=CC(=CC=C3)S(=O)(=O)O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N=NC2=C(C=C(C(=C2)C)N=NC3=CC(=CC=C3)S(=O)(=O)O)OC

InChI

InChI=1S/C22H22N4O5S/c1-4-31-18-10-8-16(9-11-18)23-26-21-12-15(2)20(14-22(21)30-3)25-24-17-6-5-7-19(13-17)32(27,28)29/h5-14H,4H2,1-3H3,(H,27,28,29)