4-methyl-5-phenylsulfanyl-6-(propoxymethyl)cyclohex-4-ene-1,3-dione

Systemtic Name: 4-methyl-5-phenylsulfanyl-6-(propoxymethyl)cyclohex-4-ene-1,3-dione Openeye Name: 4-methyl-5-phenylsulfanyl-6-(propoxymethyl)cyclohex-4-ene-1,3-dione CAS Name: 4-methyl-5-(phenylthio)-6-(propoxymethyl)cyclohex-4-ene-1,3-dione IUPAC Name: 4-methyl-5-phenylsulfanyl-6-(propoxymethyl)cyclohex-4-ene-1,3-dione Traditional Name: 4-methyl-5-(phenylthio)-6-(propoxymethyl)cyclohex-4-ene-1,3-quinone Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1C(=O)CC(=O)C(=C1SC2=CC=CC=C2)C

Isomeric SMILES

CCCOCC1C(=O)CC(=O)C(=C1SC2=CC=CC=C2)C

InChI

InChI=1S/C17H20O3S/c1-3-9-20-11-14-16(19)10-15(18)12(2)17(14)21-13-7-5-4-6-8-13/h4-8,14H,3,9-11H2,1-2H3