6-(2-hydroxyethyloxymethyl)-4-methyl-5-(2-methylphenyl)sulfanyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 6-(2-hydroxyethyloxymethyl)-4-methyl-5-(2-methylphenyl)sulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(2-hydroxyethoxymethyl)-4-methyl-5-(o-tolylsulfanyl)cyclohex-4-ene-1,3-dione CAS Name: 6-(2-hydroxyethoxymethyl)-4-methyl-5-[(2-methylphenyl)thio]cyclohex-4-ene-1,3-dione IUPAC Name: 6-(2-hydroxyethoxymethyl)-4-methyl-5-(2-methylphenyl)sulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-(2-hydroxyethoxymethyl)-4-methyl-5-(o-tolylthio)cyclohex-4-ene-1,3-quinone Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C(=O)CC(=O)C2COCCO)C

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C(=O)CC(=O)C2COCCO)C

InChI

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