[1-(3-oxidanylidenecyclohexen-1-yl)-3-phenylsulfanyl-propyl] ethanoate

Systemtic Name: [1-(3-oxidanylidenecyclohexen-1-yl)-3-phenylsulfanyl-propyl] ethanoate Openeye Name: [1-(3-oxocyclohexen-1-yl)-3-phenylsulfanyl-propyl] acetate CAS Name: acetic acid [1-(3-oxo-1-cyclohexenyl)-3-(phenylthio)propyl] ester IUPAC Name: [1-(3-oxocyclohexen-1-yl)-3-phenylsulfanylpropyl] acetate Traditional Name: acetic acid [1-(3-ketocyclohexen-1-yl)-3-(phenylthio)propyl] ester Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCSC1=CC=CC=C1)C2=CC(=O)CCC2

Isomeric SMILES

CC(=O)OC(CCSC1=CC=CC=C1)C2=CC(=O)CCC2

InChI

InChI=1S/C17H20O3S/c1-13(18)20-17(14-6-5-7-15(19)12-14)10-11-21-16-8-3-2-4-9-16/h2-4,8-9,12,17H,5-7,10-11H2,1H3