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

Systemtic Name: methyl (1S,2R,5R)-2-hexadecyl-2,5-bis(oxidanyl)cyclopent-3-ene-1-carboxylate Openeye Name: methyl (1S,2R,5R)-2-hexadecyl-2,5-dihydroxy-cyclopent-3-ene-1-carboxylate CAS Name: (1S,2R,5R)-2-hexadecyl-2,5-dihydroxy-1-cyclopent-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,5R)-2-hexadecyl-2,5-dihydroxycyclopent-3-ene-1-carboxylate Traditional Name: (1S,2R,5R)-2-cetyl-2,5-dihydroxy-cyclopent-3-ene-1-carboxylic acid methyl ester Formula: C23H42O4 MolecularWeight: 382.57718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(C=CC(C1C(=O)OC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)19-17-20(24)21(23)22(25)27-2/h17,19-21,24,26H,3-16,18H2,1-2H3/t20-,21-,23-/m1/s1