6-(2-hydroxyethyloxymethyl)-4-(2-methylpropanoyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 6-(2-hydroxyethyloxymethyl)-4-(2-methylpropanoyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(2-hydroxyethoxymethyl)-4-(2-methylpropanoyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(2-hydroxyethoxymethyl)-4-(2-methyl-1-oxopropyl)-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 6-(2-hydroxyethoxymethyl)-4-(2-methylpropanoyl)-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-(2-hydroxyethoxymethyl)-4-isobutyryl-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C19H22O5S MolecularWeight: 362.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)C1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC=C2

InChI

InChI=1S/C19H22O5S/c1-12(2)18(23)17-16(22)10-15(21)14(11-24-9-8-20)19(17)25-13-6-4-3-5-7-13/h3-7,12,14,20H,8-11H2,1-2H3