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

Systemtic Name: 4-[3-[(4E)-2-oxidanyl-4-tetradecylidene-cyclohexyl]propanoyloxysulfanyl]butanoic acid Openeye Name: 4-[3-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]propanoyloxysulfanyl]butanoic acid CAS Name: 4-[[3-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]-1-oxopropoxy]thio]butanoic acid IUPAC Name: 4-[3-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]propanoyloxysulfanyl]butanoic acid Traditional Name: 4-[3-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]propanoyloxythio]butyric acid Formula: C27H48O5S MolecularWeight: 484.73202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-23-17-18-24(25(28)22-23)19-20-27(31)32-33-21-14-16-26(29)30/h15,24-25,28H,2-14,16-22H2,1H3,(H,29,30)/b23-15+