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

Systemtic Name: 3-[2-[(4E)-2-oxidanyl-4-tetradecylidene-cyclohexyl]ethanoyloxysulfanyl]propanoic acid Openeye Name: 3-[2-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]acetyl]oxysulfanylpropanoic acid CAS Name: 3-[[2-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]-1-oxoethoxy]thio]propanoic acid IUPAC Name: 3-[2-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]acetyl]oxysulfanylpropanoic acid Traditional Name: 3-[[2-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]acetyl]oxythio]propionic acid Formula: C25H44O5S MolecularWeight: 456.67886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-16-22(23(26)19-21)20-25(29)30-31-18-17-24(27)28/h14,22-23,26H,2-13,15-20H2,1H3,(H,27,28)/b21-14+