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

Systemtic Name: 2-[(6E)-3-(2-carboxyethyl)-2-oxidanyl-6-tetradecylidene-cyclohexyl]sulfanylpropanoic acid Openeye Name: 2-[(6E)-3-(2-carboxyethyl)-2-hydroxy-6-tetradecylidene-cyclohexyl]sulfanylpropanoic acid CAS Name: 2-[[(6E)-3-(2-carboxyethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]thio]propanoic acid IUPAC Name: 2-[(6E)-3-(2-carboxyethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]sulfanylpropanoic acid Traditional Name: 2-[[(6E)-3-(2-carboxyethyl)-2-hydroxy-6-tetradecylidene-cyclohexyl]thio]propionic acid Formula: C26H46O5S MolecularWeight: 470.70544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SC(C)C(=O)O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SC(C)C(=O)O)O)CCC(=O)O

InChI

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