4-[(E)-1-(2-carboxyethylsulfanyl)octadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(E)-1-(2-carboxyethylsulfanyl)octadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 4-[(E)-1-(2-carboxyethylsulfanyl)octadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid CAS Name: 4-[(E)-1-(2-carboxyethylthio)octadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(E)-1-(2-carboxyethylsulfanyl)octadec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid Traditional Name: 4-[(E)-1-(2-carboxyethylthio)octadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid Formula: C28H50O5S MolecularWeight: 498.7586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(C1(CCC(CC1)C(=O)O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C(C1(CCC(CC1)C(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C28H50O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(34-23-20-26(29)30)28(33)21-18-24(19-22-28)27(31)32/h16-17,24-25,33H,2-15,18-23H2,1H3,(H,29,30)(H,31,32)/b17-16+