2-[(4E)-3-(carboxymethylsulfanyl)-4-hexadecylidene-2-oxidanyl-cyclohexyl]ethanoic acid

Systemtic Name: 2-[(4E)-3-(carboxymethylsulfanyl)-4-hexadecylidene-2-oxidanyl-cyclohexyl]ethanoic acid Openeye Name: 2-[(4E)-3-(carboxymethylsulfanyl)-4-hexadecylidene-2-hydroxy-cyclohexyl]acetic acid CAS Name: 2-[(4E)-3-(carboxymethylthio)-4-hexadecylidene-2-hydroxycyclohexyl]acetic acid IUPAC Name: 2-[(4E)-3-(carboxymethylsulfanyl)-4-hexadecylidene-2-hydroxycyclohexyl]acetic acid Traditional Name: 2-[(4E)-3-(carboxymethylthio)-4-hexadecylidene-2-hydroxy-cyclohexyl]acetic acid Formula: C26H46O5S MolecularWeight: 470.70544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=C1CCC(C(C1SCC(=O)O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/1\CCC(C(C1SCC(=O)O)O)CC(=O)O

InChI

InChI=1S/C26H46O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18-22(19-23(27)28)25(31)26(21)32-20-24(29)30/h16,22,25-26,31H,2-15,17-20H2,1H3,(H,27,28)(H,29,30)/b21-16+