methyl 2-hexadecyl-3-oxidanyl-5-oxidanylidene-cyclopentene-1-carboxylate

Systemtic Name: methyl 2-hexadecyl-3-oxidanyl-5-oxidanylidene-cyclopentene-1-carboxylate Openeye Name: methyl 2-hexadecyl-3-hydroxy-5-oxo-cyclopentene-1-carboxylate CAS Name: 2-hexadecyl-3-hydroxy-5-oxo-1-cyclopentenecarboxylic acid methyl ester IUPAC Name: methyl 2-hexadecyl-3-hydroxy-5-oxocyclopentene-1-carboxylate Traditional Name: 2-cetyl-3-hydroxy-5-keto-cyclopentene-1-carboxylic acid methyl ester Formula: C23H40O4 MolecularWeight: 380.5613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=O)CC1O)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=O)CC1O)C(=O)OC

InChI

InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(24)18-21(25)22(19)23(26)27-2/h20,24H,3-18H2,1-2H3