2-ethanoyl-5-[2-(4-methoxyphenyl)sulfanylethyl]cyclohexane-1,3-dione

Systemtic Name: 2-ethanoyl-5-[2-(4-methoxyphenyl)sulfanylethyl]cyclohexane-1,3-dione Openeye Name: 2-acetyl-5-[2-(4-methoxyphenyl)sulfanylethyl]cyclohexane-1,3-dione CAS Name: 2-acetyl-5-[2-[(4-methoxyphenyl)thio]ethyl]cyclohexane-1,3-dione IUPAC Name: 2-acetyl-5-[2-(4-methoxyphenyl)sulfanylethyl]cyclohexane-1,3-dione Traditional Name: 2-acetyl-5-[2-[(4-methoxyphenyl)thio]ethyl]cyclohexane-1,3-quinone Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(=O)CC(CC1=O)CCSC2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)C1C(=O)CC(CC1=O)CCSC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H20O4S/c1-11(18)17-15(19)9-12(10-16(17)20)7-8-22-14-5-3-13(21-2)4-6-14/h3-6,12,17H,7-10H2,1-2H3