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

Systemtic Name: 6-(ethoxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(ethoxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(ethoxymethyl)-4-methyl-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 6-(ethoxymethyl)-4-methyl-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-(ethoxymethyl)-4-methyl-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C16H18O3S MolecularWeight: 290.37732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1C(=O)CC(=O)C(=C1SC2=CC=CC=C2)C

Isomeric SMILES

CCOCC1C(=O)CC(=O)C(=C1SC2=CC=CC=C2)C

InChI

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