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

Systemtic Name: 5-[3-heptadecyl-4-[(3-hydroxyphenyl)diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[3-heptadecyl-4-(3-hydroxyphenyl)azo-5-oxo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[3-heptadecyl-4-(3-hydroxyphenyl)azo-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[3-heptadecyl-4-[(3-hydroxyphenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[3-heptadecyl-4-(3-hydroxyphenyl)azo-5-keto-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C38H50N4O6S MolecularWeight: 690.8918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H50N4O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-34-37(40-39-30-21-20-22-32(43)28-30)38(44)42(41-34)31-26-27-35(36(29-31)49(45,46)47)48-33-23-17-16-18-24-33/h16-18,20-24,26-29,37,43H,2-15,19,25H2,1H3,(H,45,46,47)