5-(3-methylsulfanylphenyl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(3-methylsulfanylphenyl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxypropylidene)-5-(3-methylsulfanylphenyl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxypropylidene)-5-[3-(methylthio)phenyl]cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxypropylidene)-5-(3-methylsulfanylphenyl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxypropylidene)-5-[3-(methylthio)phenyl]cyclohexane-1,3-quinone Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC(=CC=C2)SC)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC(=CC=C2)SC)O

InChI

InChI=1S/C16H18O3S/c1-3-13(17)16-14(18)8-11(9-15(16)19)10-5-4-6-12(7-10)20-2/h4-7,11,17H,3,8-9H2,1-2H3