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

Systemtic Name: 6-(2-hydroxyethyloxymethyl)-5-(2-methoxyphenyl)sulfanyl-4-methyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(2-hydroxyethoxymethyl)-5-(2-methoxyphenyl)sulfanyl-4-methyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(2-hydroxyethoxymethyl)-5-[(2-methoxyphenyl)thio]-4-methylcyclohex-4-ene-1,3-dione IUPAC Name: 6-(2-hydroxyethoxymethyl)-5-(2-methoxyphenyl)sulfanyl-4-methylcyclohex-4-ene-1,3-dione Traditional Name: 6-(2-hydroxyethoxymethyl)-5-[(2-methoxyphenyl)thio]-4-methyl-cyclohex-4-ene-1,3-quinone Formula: C17H20O5S MolecularWeight: 336.4027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC=C2OC

Isomeric SMILES

CC1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC=C2OC

InChI

InChI=1S/C17H20O5S/c1-11-13(19)9-14(20)12(10-22-8-7-18)17(11)23-16-6-4-3-5-15(16)21-2/h3-6,12,18H,7-10H2,1-2H3