hydroxymethyl 3-methylsulfanyl-2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopent-3-ene-1-carboxylate

Systemtic Name: hydroxymethyl 3-methylsulfanyl-2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopent-3-ene-1-carboxylate Openeye Name: hydroxymethyl 5-[(E)-3-hydroxyoct-1-enyl]-3-methylsulfanyl-2-oxo-cyclopent-3-ene-1-carboxylate CAS Name: 5-[(E)-3-hydroxyoct-1-enyl]-3-(methylthio)-2-oxo-1-cyclopent-3-enecarboxylic acid hydroxymethyl ester IUPAC Name: hydroxymethyl 5-[(E)-3-hydroxyoct-1-enyl]-3-methylsulfanyl-2-oxocyclopent-3-ene-1-carboxylate Traditional Name: 5-[(E)-3-hydroxyoct-1-enyl]-2-keto-3-(methylthio)cyclopent-3-ene-1-carboxylic acid methylol ester Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C=C(C(=O)C1C(=O)OCO)SC)O

Isomeric SMILES

CCCCCC(/C=C/C1C=C(C(=O)C1C(=O)OCO)SC)O

InChI

InChI=1S/C16H24O5S/c1-3-4-5-6-12(18)8-7-11-9-13(22-2)15(19)14(11)16(20)21-10-17/h7-9,11-12,14,17-18H,3-6,10H2,1-2H3/b8-7+