6-[(4E)-3-(carboxymethylsulfanyl)-2-oxidanyl-4-tetradecylidene-cyclohexyl]hexanoic acid

Systemtic Name: 6-[(4E)-3-(carboxymethylsulfanyl)-2-oxidanyl-4-tetradecylidene-cyclohexyl]hexanoic acid Openeye Name: 6-[(4E)-3-(carboxymethylsulfanyl)-2-hydroxy-4-tetradecylidene-cyclohexyl]hexanoic acid CAS Name: 6-[(4E)-3-(carboxymethylthio)-2-hydroxy-4-tetradecylidenecyclohexyl]hexanoic acid IUPAC Name: 6-[(4E)-3-(carboxymethylsulfanyl)-2-hydroxy-4-tetradecylidenecyclohexyl]hexanoic acid Traditional Name: 6-[(4E)-3-(carboxymethylthio)-2-hydroxy-4-tetradecylidene-cyclohexyl]hexanoic acid Formula: C28H50O5S MolecularWeight: 498.7586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SCC(=O)O)O)CCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SCC(=O)O)O)CCCCCC(=O)O

InChI

InChI=1S/C28H50O5S/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-24-21-20-23(17-15-13-16-19-25(29)30)27(33)28(24)34-22-26(31)32/h18,23,27-28,33H,2-17,19-22H2,1H3,(H,29,30)(H,31,32)/b24-18+