1-[(E)-hexadec-2-enyl]-4-oxidanyl-2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-cyclohexane-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CCC1(CCC(CC1SCCCC(=O)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/CC1(CCC(CC1SCCCC(=O)O)O)C(=O)O

InChI

InChI=1S/C27H48O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-27(26(31)32)20-18-23(28)22-24(27)33-21-16-17-25(29)30/h14-15,23-24,28H,2-13,16-22H2,1H3,(H,29,30)(H,31,32)/b15-14+