[(1S)-3-[11,12-bis(methylsulfanyl)octadecanoyl]-2-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl] ethanoate

Systemtic Name: [(1S)-3-[11,12-bis(methylsulfanyl)octadecanoyl]-2-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl] ethanoate Openeye Name: [(1S)-3-[11,12-bis(methylsulfanyl)octadecanoyl]-2-hydroxy-4-oxo-cyclohex-2-en-1-yl] acetate CAS Name: acetic acid [(1S)-3-[11,12-bis(methylthio)-1-oxooctadecyl]-2-hydroxy-4-oxo-1-cyclohex-2-enyl] ester IUPAC Name: [(1S)-3-[11,12-bis(methylsulfanyl)octadecanoyl]-2-hydroxy-4-oxocyclohex-2-en-1-yl] acetate Traditional Name: acetic acid [(1S)-3-[11,12-bis(methylthio)octadecanoyl]-2-hydroxy-4-keto-cyclohex-2-en-1-yl] ester Formula: C28H48O5S2 MolecularWeight: 528.80772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCCCCCCCCC(=O)C1=C(C(CCC1=O)OC(=O)C)O)SC)SC

Isomeric SMILES

CCCCCCC(C(CCCCCCCCCC(=O)C1=C([C@H](CCC1=O)OC(=O)C)O)SC)SC

InChI

InChI=1S/C28H48O5S2/c1-5-6-7-14-17-25(34-3)26(35-4)18-15-12-10-8-9-11-13-16-22(30)27-23(31)19-20-24(28(27)32)33-21(2)29/h24-26,32H,5-20H2,1-4H3/t24-,25?,26?/m0/s1