2-[4-[(4E)-2-oxidanyl-4-tetradecylidene-cyclohexyl]butanoyloxysulfanyl]ethanoic acid

Systemtic Name: 2-[4-[(4E)-2-oxidanyl-4-tetradecylidene-cyclohexyl]butanoyloxysulfanyl]ethanoic acid Openeye Name: 2-[4-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]butanoyloxysulfanyl]acetic acid CAS Name: 2-[[4-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]-1-oxobutoxy]thio]acetic acid IUPAC Name: 2-[4-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]butanoyloxysulfanyl]acetic acid Traditional Name: 2-[4-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]butanoyloxythio]acetic acid Formula: C26H46O5S MolecularWeight: 470.70544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1)O)CCCC(=O)OSCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1)O)CCCC(=O)OSCC(=O)O

InChI

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