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

Systemtic Name: 6-(methoxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(methoxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(methoxymethyl)-4-methyl-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 6-(methoxymethyl)-4-methyl-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-(methoxymethyl)-4-methyl-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C15H16O3S MolecularWeight: 276.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)CC1=O)COC)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(C(=O)CC1=O)COC)SC2=CC=CC=C2

InChI

InChI=1S/C15H16O3S/c1-10-13(16)8-14(17)12(9-18-2)15(10)19-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3