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

Systemtic Name: 2-[3-[(4E)-2-oxidanyl-4-tetradecylidene-cyclohexyl]propanoyloxysulfanyl]ethanoic acid Openeye Name: 2-[3-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]propanoyloxysulfanyl]acetic acid CAS Name: 2-[[3-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]-1-oxopropoxy]thio]acetic acid IUPAC Name: 2-[3-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]propanoyloxysulfanyl]acetic acid Traditional Name: 2-[3-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]propanoyloxythio]acetic acid Formula: C25H44O5S MolecularWeight: 456.67886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1)O)CCC(=O)OSCC(=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)17-18-25(29)30-31-20-24(27)28/h14,22-23,26H,2-13,15-20H2,1H3,(H,27,28)/b21-14+