ethyl 2-[4-methoxy-6-oxidanylidene-2-[(E)-3-oxidanylideneoct-1-enyl]pyran-3-yl]-2-phenylsulfanyl-ethanoate

Systemtic Name: ethyl 2-[4-methoxy-6-oxidanylidene-2-[(E)-3-oxidanylideneoct-1-enyl]pyran-3-yl]-2-phenylsulfanyl-ethanoate Openeye Name: ethyl 2-[4-methoxy-6-oxo-2-[(E)-3-oxooct-1-enyl]pyran-3-yl]-2-phenylsulfanyl-acetate CAS Name: 2-[4-methoxy-6-oxo-2-[(E)-3-oxooct-1-enyl]-3-pyranyl]-2-(phenylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methoxy-6-oxo-2-[(E)-3-oxooct-1-enyl]pyran-3-yl]-2-phenylsulfanylacetate Traditional Name: 2-[6-keto-2-[(E)-3-ketooct-1-enyl]-4-methoxy-pyran-3-yl]-2-(phenylthio)acetic acid ethyl ester Formula: C24H28O6S MolecularWeight: 444.54052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC1=C(C(=CC(=O)O1)OC)C(C(=O)OCC)SC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)/C=C/C1=C(C(=CC(=O)O1)OC)C(C(=O)OCC)SC2=CC=CC=C2

InChI

InChI=1S/C24H28O6S/c1-4-6-8-11-17(25)14-15-19-22(20(28-3)16-21(26)30-19)23(24(27)29-5-2)31-18-12-9-7-10-13-18/h7,9-10,12-16,23H,4-6,8,11H2,1-3H3/b15-14+