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

Systemtic Name: 6-(2-hydroxyethyloxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(2-hydroxyethoxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(2-hydroxyethoxymethyl)-4-methyl-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 6-(2-hydroxyethoxymethyl)-4-methyl-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-(2-hydroxyethoxymethyl)-4-methyl-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4S/c1-11-14(18)9-15(19)13(10-20-8-7-17)16(11)21-12-5-3-2-4-6-12/h2-6,13,17H,7-10H2,1H3