2-[6-[(4E)-2-oxidanyl-4-tetradecylidene-cyclohexyl]hexanoyloxysulfanyl]ethanoic acid

Systemtic Name: 2-[6-[(4E)-2-oxidanyl-4-tetradecylidene-cyclohexyl]hexanoyloxysulfanyl]ethanoic acid Openeye Name: 2-[6-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]hexanoyloxysulfanyl]acetic acid CAS Name: 2-[[6-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]-1-oxohexoxy]thio]acetic acid IUPAC Name: 2-[6-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]hexanoyloxysulfanyl]acetic acid Traditional Name: 2-[6-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]hexanoyloxythio]acetic acid Formula: C28H50O5S MolecularWeight: 498.7586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50O5S/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-24-20-21-25(26(29)22-24)18-15-13-16-19-28(32)33-34-23-27(30)31/h17,25-26,29H,2-16,18-23H2,1H3,(H,30,31)/b24-17+