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

Systemtic Name: 5-[4-[(4-acetamidophenyl)diazenyl]-3-heptadecyl-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[4-(4-acetamidophenyl)azo-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[4-(4-acetamidophenyl)azo-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[4-[(4-acetamidophenyl)diazenyl]-3-heptadecyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[4-(4-acetamidophenyl)azo-3-heptadecyl-5-keto-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C40H53N5O6S MolecularWeight: 731.94372

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C40H53N5O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-36-39(43-42-33-26-24-32(25-27-33)41-31(2)46)40(47)45(44-36)34-28-29-37(38(30-34)52(48,49)50)51-35-21-18-17-19-22-35/h17-19,21-22,24-30,39H,3-16,20,23H2,1-2H3,(H,41,46)(H,48,49,50)