6-(2-methoxyethoxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 6-(2-methoxyethoxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(2-methoxyethoxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(2-methoxyethoxymethyl)-4-methyl-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 6-(2-methoxyethoxymethyl)-4-methyl-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-(2-methoxyethoxymethyl)-4-methyl-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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