2-sulfanylethyl 3-(3,5-dimethyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: 2-sulfanylethyl 3-(3,5-dimethyl-4-oxidanyl-phenyl)propanoate Openeye Name: 2-sulfanylethyl 3-(4-hydroxy-3,5-dimethyl-phenyl)propanoate CAS Name: 3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid 2-mercaptoethyl ester IUPAC Name: 2-sulfanylethyl 3-(4-hydroxy-3,5-dimethylphenyl)propanoate Traditional Name: 3-(4-hydroxy-3,5-dimethyl-phenyl)propionic acid 2-mercaptoethyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CCC(=O)OCCS

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CCC(=O)OCCS

InChI

InChI=1S/C13H18O3S/c1-9-7-11(8-10(2)13(9)15)3-4-12(14)16-5-6-17/h7-8,15,17H,3-6H2,1-2H3