2-[8-[(4E)-2-oxidanyl-4-tetradecylidene-cyclohexyl]octanoyloxysulfanyl]ethanoic acid

Systemtic Name: 2-[8-[(4E)-2-oxidanyl-4-tetradecylidene-cyclohexyl]octanoyloxysulfanyl]ethanoic acid Openeye Name: 2-[8-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]octanoyloxysulfanyl]acetic acid CAS Name: 2-[[8-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]-1-oxooctoxy]thio]acetic acid IUPAC Name: 2-[8-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]octanoyloxysulfanyl]acetic acid Traditional Name: 2-[8-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]octanoyloxythio]acetic acid Formula: C30H54O5S MolecularWeight: 526.81176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54O5S/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-26-22-23-27(28(31)24-26)20-17-14-12-15-18-21-30(34)35-36-25-29(32)33/h19,27-28,31H,2-18,20-25H2,1H3,(H,32,33)/b26-19+