methyl 3-butanoyl-2,4-bis(oxidanyl)-6-(2-prop-2-enylsulfanylpropyl)cyclohexane-1-carboxylate

Systemtic Name: methyl 3-butanoyl-2,4-bis(oxidanyl)-6-(2-prop-2-enylsulfanylpropyl)cyclohexane-1-carboxylate Openeye Name: methyl 6-(2-allylsulfanylpropyl)-3-butanoyl-2,4-dihydroxy-cyclohexanecarboxylate CAS Name: 2,4-dihydroxy-3-(1-oxobutyl)-6-[2-(prop-2-enylthio)propyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-2,4-dihydroxy-6-(2-prop-2-enylsulfanylpropyl)cyclohexane-1-carboxylate Traditional Name: 6-[2-(allylthio)propyl]-3-butyryl-2,4-dihydroxy-cyclohexanecarboxylic acid methyl ester Formula: C18H30O5S MolecularWeight: 358.4928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(CC(C(C1O)C(=O)OC)CC(C)SCC=C)O

Isomeric SMILES

CCCC(=O)C1C(CC(C(C1O)C(=O)OC)CC(C)SCC=C)O

InChI

InChI=1S/C18H30O5S/c1-5-7-13(19)16-14(20)10-12(9-11(3)24-8-6-2)15(17(16)21)18(22)23-4/h6,11-12,14-17,20-21H,2,5,7-10H2,1,3-4H3