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

Systemtic Name: 4-[(4E)-3-(carboxymethylsulfanyl)-2-oxidanyl-4-tetradecylidene-cyclohexyl]butanoic acid Openeye Name: 4-[(4E)-3-(carboxymethylsulfanyl)-2-hydroxy-4-tetradecylidene-cyclohexyl]butanoic acid CAS Name: 4-[(4E)-3-(carboxymethylthio)-2-hydroxy-4-tetradecylidenecyclohexyl]butanoic acid IUPAC Name: 4-[(4E)-3-(carboxymethylsulfanyl)-2-hydroxy-4-tetradecylidenecyclohexyl]butanoic acid Traditional Name: 4-[(4E)-3-(carboxymethylthio)-2-hydroxy-4-tetradecylidene-cyclohexyl]butyric acid Formula: C26H46O5S MolecularWeight: 470.70544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22-19-18-21(16-14-17-23(27)28)25(31)26(22)32-20-24(29)30/h15,21,25-26,31H,2-14,16-20H2,1H3,(H,27,28)(H,29,30)/b22-15+