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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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