3-[3-[(4E)-2-oxidanyl-4-tetradecylidene-cyclohexyl]propanoyloxysulfanyl]propanoic acid

Systemtic Name: 3-[3-[(4E)-2-oxidanyl-4-tetradecylidene-cyclohexyl]propanoyloxysulfanyl]propanoic acid Openeye Name: 3-[3-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]propanoyloxysulfanyl]propanoic acid CAS Name: 3-[[3-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]-1-oxopropoxy]thio]propanoic acid IUPAC Name: 3-[3-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]propanoyloxysulfanyl]propanoic acid Traditional Name: 3-[3-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]propanoyloxythio]propionic acid Formula: C26H46O5S MolecularWeight: 470.70544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1)O)CCC(=O)OSCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1)O)CCC(=O)OSCCC(=O)O

InChI

InChI=1S/C26H46O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-15-16-23(24(27)21-22)17-18-26(30)31-32-20-19-25(28)29/h14,23-24,27H,2-13,15-21H2,1H3,(H,28,29)/b22-14+