hexadecyl 4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzoate

Systemtic Name: hexadecyl 4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzoate Openeye Name: hexadecyl 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoate CAS Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoate Traditional Name: 4-(5-keto-3-methyl-2-pyrazolin-1-yl)benzoic acid cetyl ester Formula: C27H42N2O3 MolecularWeight: 442.63398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)C

InChI

InChI=1S/C27H42N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32-27(31)24-17-19-25(20-18-24)29-26(30)22-23(2)28-29/h17-20H,3-16,21-22H2,1-2H3