4-[(Z)-1-(carboxymethylsulfanyl)hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(Z)-1-(carboxymethylsulfanyl)hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 4-[(Z)-1-(carboxymethylsulfanyl)hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid CAS Name: 4-[(Z)-1-(carboxymethylthio)hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(Z)-1-(carboxymethylsulfanyl)hexadec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid Traditional Name: 4-[(Z)-1-(carboxymethylthio)hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid Formula: C25H44O5S MolecularWeight: 456.67886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(31-20-23(26)27)25(30)18-16-21(17-19-25)24(28)29/h14-15,21-22,30H,2-13,16-20H2,1H3,(H,26,27)(H,28,29)/b15-14-