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

Systemtic Name: 6-(2-hydroxyethyloxymethyl)-5-(3-methoxyphenyl)sulfanyl-4-methyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(2-hydroxyethoxymethyl)-5-(3-methoxyphenyl)sulfanyl-4-methyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(2-hydroxyethoxymethyl)-5-[(3-methoxyphenyl)thio]-4-methylcyclohex-4-ene-1,3-dione IUPAC Name: 6-(2-hydroxyethoxymethyl)-5-(3-methoxyphenyl)sulfanyl-4-methylcyclohex-4-ene-1,3-dione Traditional Name: 6-(2-hydroxyethoxymethyl)-5-[(3-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(=C2)OC

Isomeric SMILES

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

InChI

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