4-[(6E)-3-(2-carboxyethyl)-2-oxidanyl-6-tetradecylidene-cyclohexyl]sulfanylbutanoic acid

Systemtic Name: 4-[(6E)-3-(2-carboxyethyl)-2-oxidanyl-6-tetradecylidene-cyclohexyl]sulfanylbutanoic acid Openeye Name: 4-[(6E)-3-(2-carboxyethyl)-2-hydroxy-6-tetradecylidene-cyclohexyl]sulfanylbutanoic acid CAS Name: 4-[[(6E)-3-(2-carboxyethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]thio]butanoic acid IUPAC Name: 4-[(6E)-3-(2-carboxyethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]sulfanylbutanoic acid Traditional Name: 4-[[(6E)-3-(2-carboxyethyl)-2-hydroxy-6-tetradecylidene-cyclohexyl]thio]butyric acid Formula: C27H48O5S MolecularWeight: 484.73202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SCCCC(=O)O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SCCCC(=O)O)O)CCC(=O)O

InChI

InChI=1S/C27H48O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-23-18-17-22(19-20-25(30)31)26(32)27(23)33-21-14-16-24(28)29/h15,22,26-27,32H,2-14,16-21H2,1H3,(H,28,29)(H,30,31)/b23-15+