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

Systemtic Name: 2-(2-carboxyethylsulfanyl)-4-oxidanyl-1-[(E)-tetradec-2-enyl]cyclohexane-1-carboxylic acid Openeye Name: 2-(2-carboxyethylsulfanyl)-4-hydroxy-1-[(E)-tetradec-2-enyl]cyclohexanecarboxylic acid CAS Name: 2-(2-carboxyethylthio)-4-hydroxy-1-[(E)-tetradec-2-enyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-(2-carboxyethylsulfanyl)-4-hydroxy-1-[(E)-tetradec-2-enyl]cyclohexane-1-carboxylic acid Traditional Name: 2-(2-carboxyethylthio)-4-hydroxy-1-[(E)-tetradec-2-enyl]cyclohexanecarboxylic acid Formula: C24H42O5S MolecularWeight: 442.65228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CCC1(CCC(CC1SCCC(=O)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCC/C=C/CC1(CCC(CC1SCCC(=O)O)O)C(=O)O

InChI

InChI=1S/C24H42O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(28)29)17-14-20(25)19-21(24)30-18-15-22(26)27/h12-13,20-21,25H,2-11,14-19H2,1H3,(H,26,27)(H,28,29)/b13-12+