methyl (1R,2S)-2-hexadecyl-5-oxidanylidene-cyclopent-3-ene-1-carboxylate

Systemtic Name: methyl (1R,2S)-2-hexadecyl-5-oxidanylidene-cyclopent-3-ene-1-carboxylate Openeye Name: methyl (1R,2S)-2-hexadecyl-5-oxo-cyclopent-3-ene-1-carboxylate CAS Name: (1R,2S)-2-hexadecyl-5-oxo-1-cyclopent-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-hexadecyl-5-oxocyclopent-3-ene-1-carboxylate Traditional Name: (1R,2S)-2-cetyl-5-keto-cyclopent-3-ene-1-carboxylic acid methyl ester Formula: C23H40O3 MolecularWeight: 364.5619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1C=CC(=O)C1C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC[C@H]1C=CC(=O)[C@@H]1C(=O)OC

InChI

InChI=1S/C23H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-21(24)22(20)23(25)26-2/h18-20,22H,3-17H2,1-2H3/t20-,22+/m0/s1