4-[(E)-1-(3-methoxy-3-oxidanylidene-propyl)sulfanylhexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: 4-[(E)-1-(3-methoxy-3-oxidanylidene-propyl)sulfanylhexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: 4-hydroxy-4-[(E)-1-(3-methoxy-3-oxo-propyl)sulfanylhexadec-2-enyl]cyclohexanecarboxylate CAS Name: 4-hydroxy-4-[(E)-1-[(3-methoxy-3-oxopropyl)thio]hexadec-2-enyl]-1-cyclohexanecarboxylate IUPAC Name: 4-hydroxy-4-[(E)-1-(3-methoxy-3-oxopropyl)sulfanylhexadec-2-enyl]cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-[(E)-1-[(3-keto-3-methoxy-propyl)thio]hexadec-2-enyl]cyclohexanecarboxylate Formula: C27H47O5S- MolecularWeight: 483.72408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C1(CCC(CC1)C(=O)[O-])O)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C1(CCC(CC1)C(=O)[O-])O)SCCC(=O)OC

InChI

InChI=1S/C27H48O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(33-22-19-25(28)32-2)27(31)20-17-23(18-21-27)26(29)30/h15-16,23-24,31H,3-14,17-22H2,1-2H3,(H,29,30)/p-1/b16-15+