methyl 3-(3-oxidanylideneoctadecanoyl)benzoate

Systemtic Name: methyl 3-(3-oxidanylideneoctadecanoyl)benzoate Openeye Name: methyl 3-(3-oxooctadecanoyl)benzoate CAS Name: 3-(1,3-dioxooctadecyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-oxooctadecanoyl)benzoate Traditional Name: 3-(3-ketooctadecanoyl)benzoic acid methyl ester Formula: C26H40O4 MolecularWeight: 416.5934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC(=CC=C1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC(=CC=C1)C(=O)OC

InChI

InChI=1S/C26H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(27)21-25(28)22-17-16-18-23(20-22)26(29)30-2/h16-18,20H,3-15,19,21H2,1-2H3