methyl 3-(2-hydroxyphenyl)-3-propan-2-ylsulfanyl-propanoate

Systemtic Name: methyl 3-(2-hydroxyphenyl)-3-propan-2-ylsulfanyl-propanoate Openeye Name: methyl 3-(2-hydroxyphenyl)-3-isopropylsulfanyl-propanoate CAS Name: 3-(2-hydroxyphenyl)-3-(propan-2-ylthio)propanoic acid methyl ester IUPAC Name: methyl 3-(2-hydroxyphenyl)-3-propan-2-ylsulfanylpropanoate Traditional Name: 3-(2-hydroxyphenyl)-3-(isopropylthio)propionic acid methyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(CC(=O)OC)C1=CC=CC=C1O

Isomeric SMILES

CC(C)SC(CC(=O)OC)C1=CC=CC=C1O

InChI

InChI=1S/C13H18O3S/c1-9(2)17-12(8-13(15)16-3)10-6-4-5-7-11(10)14/h4-7,9,12,14H,8H2,1-3H3