5-[4-[(2,5-dimethoxyphenyl)diazenyl]-3-heptadecyl-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-[4-[(2,5-dimethoxyphenyl)diazenyl]-3-heptadecyl-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[4-(2,5-dimethoxyphenyl)azo-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[4-(2,5-dimethoxyphenyl)azo-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[4-[(2,5-dimethoxyphenyl)diazenyl]-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[4-(2,5-dimethoxyphenyl)azo-3-heptadecyl-5-keto-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C40H54N4O7S MolecularWeight: 734.94436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)OC)OC)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)OC)OC)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C40H54N4O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-34-39(42-41-35-30-33(49-2)26-28-36(35)50-3)40(45)44(43-34)31-25-27-37(38(29-31)52(46,47)48)51-32-22-19-18-20-23-32/h18-20,22-23,25-30,39H,4-17,21,24H2,1-3H3,(H,46,47,48)