methyl 3-[6-(2-hydroxyethyloxymethyl)-2-methyl-3,5-bis(oxidanylidene)cyclohexen-1-yl]sulfanylbenzoate

Systemtic Name: methyl 3-[6-(2-hydroxyethyloxymethyl)-2-methyl-3,5-bis(oxidanylidene)cyclohexen-1-yl]sulfanylbenzoate Openeye Name: methyl 3-[6-(2-hydroxyethoxymethyl)-2-methyl-3,5-dioxo-cyclohexen-1-yl]sulfanylbenzoate CAS Name: 3-[[6-(2-hydroxyethoxymethyl)-2-methyl-3,5-dioxo-1-cyclohexenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-[6-(2-hydroxyethoxymethyl)-2-methyl-3,5-dioxocyclohexen-1-yl]sulfanylbenzoate Traditional Name: 3-[[6-(2-hydroxyethoxymethyl)-3,5-diketo-2-methyl-cyclohexen-1-yl]thio]benzoic acid methyl ester Formula: C18H20O6S MolecularWeight: 364.4128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O6S/c1-11-15(20)9-16(21)14(10-24-7-6-19)17(11)25-13-5-3-4-12(8-13)18(22)23-2/h3-5,8,14,19H,6-7,9-10H2,1-2H3