3-[(4E)-3-(2-carboxyethylsulfanyl)-2-oxidanyl-4-tetradecylidene-cyclohexyl]propanoic acid

Systemtic Name: 3-[(4E)-3-(2-carboxyethylsulfanyl)-2-oxidanyl-4-tetradecylidene-cyclohexyl]propanoic acid Openeye Name: 3-[(4E)-3-(2-carboxyethylsulfanyl)-2-hydroxy-4-tetradecylidene-cyclohexyl]propanoic acid CAS Name: 3-[(4E)-3-(2-carboxyethylthio)-2-hydroxy-4-tetradecylidenecyclohexyl]propanoic acid IUPAC Name: 3-[(4E)-3-(2-carboxyethylsulfanyl)-2-hydroxy-4-tetradecylidenecyclohexyl]propanoic acid Traditional Name: 3-[(4E)-3-(2-carboxyethylthio)-2-hydroxy-4-tetradecylidene-cyclohexyl]propionic acid Formula: C26H46O5S MolecularWeight: 470.70544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SCCC(=O)O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SCCC(=O)O)O)CCC(=O)O

InChI

InChI=1S/C26H46O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-16-15-21(17-18-23(27)28)25(31)26(22)32-20-19-24(29)30/h14,21,25-26,31H,2-13,15-20H2,1H3,(H,27,28)(H,29,30)/b22-14+