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

Systemtic Name: 5-[3-heptadecyl-4-[(4-methoxyphenyl)diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[3-heptadecyl-4-(4-methoxyphenyl)azo-5-oxo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[3-heptadecyl-4-(4-methoxyphenyl)azo-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[3-heptadecyl-4-[(4-methoxyphenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[3-heptadecyl-5-keto-4-(4-methoxyphenyl)azo-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C39H52N4O6S MolecularWeight: 704.91838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H52N4O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-35-38(41-40-31-24-27-33(48-2)28-25-31)39(44)43(42-35)32-26-29-36(37(30-32)50(45,46)47)49-34-21-18-17-19-22-34/h17-19,21-22,24-30,38H,3-16,20,23H2,1-2H3,(H,45,46,47)