hydroxymethyl 4-methylsulfanyl-2-octyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-ene-1-carboxylate

Systemtic Name: hydroxymethyl 4-methylsulfanyl-2-octyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-ene-1-carboxylate Openeye Name: hydroxymethyl 2-hydroxy-4-methylsulfanyl-2-octyl-5-oxo-cyclopent-3-ene-1-carboxylate CAS Name: 2-hydroxy-4-(methylthio)-2-octyl-5-oxo-1-cyclopent-3-enecarboxylic acid hydroxymethyl ester IUPAC Name: hydroxymethyl 2-hydroxy-4-methylsulfanyl-2-octyl-5-oxocyclopent-3-ene-1-carboxylate Traditional Name: 2-hydroxy-5-keto-4-(methylthio)-2-octyl-cyclopent-3-ene-1-carboxylic acid methylol ester Formula: C16H26O5S MolecularWeight: 330.43964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=C(C(=O)C1C(=O)OCO)SC)O

Isomeric SMILES

CCCCCCCCC1(C=C(C(=O)C1C(=O)OCO)SC)O

InChI

InChI=1S/C16H26O5S/c1-3-4-5-6-7-8-9-16(20)10-12(22-2)14(18)13(16)15(19)21-11-17/h10,13,17,20H,3-9,11H2,1-2H3