2-[(6E,10E)-2,6,10-trimethyl-12-oxidanyl-3-oxidanylidene-dodeca-6,10-dienyl]sulfanylethanoate

Systemtic Name: 2-[(6E,10E)-2,6,10-trimethyl-12-oxidanyl-3-oxidanylidene-dodeca-6,10-dienyl]sulfanylethanoate Openeye Name: 2-[(6E,10E)-12-hydroxy-2,6,10-trimethyl-3-oxo-dodeca-6,10-dienyl]sulfanylacetate CAS Name: 2-[[(6E,10E)-12-hydroxy-2,6,10-trimethyl-3-oxododeca-6,10-dienyl]thio]acetate IUPAC Name: 2-[(6E,10E)-12-hydroxy-2,6,10-trimethyl-3-oxododeca-6,10-dienyl]sulfanylacetate Traditional Name: 2-[[(6E,10E)-12-hydroxy-3-keto-2,6,10-trimethyl-dodeca-6,10-dienyl]thio]acetate Formula: C17H27O4S- MolecularWeight: 327.45888

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC(=O)[O-])C(=O)CCC(=CCCC(=CCO)C)C

Isomeric SMILES

CC(CSCC(=O)[O-])C(=O)CC/C(=C/CC/C(=C/CO)/C)/C

InChI

InChI=1S/C17H28O4S/c1-13(5-4-6-14(2)9-10-18)7-8-16(19)15(3)11-22-12-17(20)21/h5,9,15,18H,4,6-8,10-12H2,1-3H3,(H,20,21)/p-1/b13-5+,14-9+