8-[(4E)-3-(carboxymethylsulfanyl)-2-oxidanyl-4-tetradecylidene-cyclohexyl]octanoic acid

Systemtic Name: 8-[(4E)-3-(carboxymethylsulfanyl)-2-oxidanyl-4-tetradecylidene-cyclohexyl]octanoic acid Openeye Name: 8-[(4E)-3-(carboxymethylsulfanyl)-2-hydroxy-4-tetradecylidene-cyclohexyl]octanoic acid CAS Name: 8-[(4E)-3-(carboxymethylthio)-2-hydroxy-4-tetradecylidenecyclohexyl]octanoic acid IUPAC Name: 8-[(4E)-3-(carboxymethylsulfanyl)-2-hydroxy-4-tetradecylidenecyclohexyl]octanoic acid Traditional Name: 8-[(4E)-3-(carboxymethylthio)-2-hydroxy-4-tetradecylidene-cyclohexyl]caprylic acid Formula: C30H54O5S MolecularWeight: 526.81176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SCC(=O)O)O)CCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SCC(=O)O)O)CCCCCCCC(=O)O

InChI

InChI=1S/C30H54O5S/c1-2-3-4-5-6-7-8-9-10-11-13-17-20-26-23-22-25(29(35)30(26)36-24-28(33)34)19-16-14-12-15-18-21-27(31)32/h20,25,29-30,35H,2-19,21-24H2,1H3,(H,31,32)(H,33,34)/b26-20+