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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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