methyl 2-[3-(hydroxymethyl)-2-methyl-phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[3-(hydroxymethyl)-2-methyl-phenyl]sulfanylethanoate Openeye Name: methyl 2-[3-(hydroxymethyl)-2-methyl-phenyl]sulfanylacetate CAS Name: 2-[[3-(hydroxymethyl)-2-methylphenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(hydroxymethyl)-2-methylphenyl]sulfanylacetate Traditional Name: 2-[(2-methyl-3-methylol-phenyl)thio]acetic acid methyl ester Formula: C11H14O3S MolecularWeight: 226.29206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)OC)CO

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)OC)CO

InChI

InChI=1S/C11H14O3S/c1-8-9(6-12)4-3-5-10(8)15-7-11(13)14-2/h3-5,12H,6-7H2,1-2H3