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

Systemtic Name: 4-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(benzyloxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 4-methyl-6-(phenylmethoxymethyl)-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 4-methyl-6-(phenylmethoxymethyl)-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-(benzoxymethyl)-4-methyl-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)CC1=O)COCC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=O)CC1=O)COCC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H20O3S/c1-15-19(22)12-20(23)18(14-24-13-16-8-4-2-5-9-16)21(15)25-17-10-6-3-7-11-17/h2-11,18H,12-14H2,1H3