4-oxidanyl-4-[(Z)-1-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylhexadec-2-enyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-oxidanyl-4-[(Z)-1-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylhexadec-2-enyl]cyclohexane-1-carboxylic acid Openeye Name: 4-hydroxy-4-[(Z)-1-(4-hydroxy-4-oxo-butyl)sulfanylhexadec-2-enyl]cyclohexanecarboxylic acid CAS Name: 4-hydroxy-4-[(Z)-1-[(4-hydroxy-4-oxobutyl)thio]hexadec-2-enyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-hydroxy-4-[(Z)-1-(4-hydroxy-4-oxobutyl)sulfanylhexadec-2-enyl]cyclohexane-1-carboxylic acid Traditional Name: 4-hydroxy-4-[(Z)-1-[(4-hydroxy-4-keto-butyl)thio]hexadec-2-enyl]cyclohexanecarboxylic acid Formula: C27H48O5S MolecularWeight: 484.73202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C1(CCC(CC1)C(=O)O)O)SCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C\C(C1(CCC(CC1)C(=O)O)O)SCCCC(=O)O

InChI

InChI=1S/C27H48O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-24(33-22-15-17-25(28)29)27(32)20-18-23(19-21-27)26(30)31/h14,16,23-24,32H,2-13,15,17-22H2,1H3,(H,28,29)(H,30,31)/b16-14-