methyl 4-(2-sulfanylethyl)benzoate

Systemtic Name: methyl 4-(2-sulfanylethyl)benzoate Openeye Name: methyl 4-(2-sulfanylethyl)benzoate CAS Name: 4-(2-mercaptoethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-sulfanylethyl)benzoate Traditional Name: 4-(2-mercaptoethyl)benzoic acid methyl ester Formula: C10H12O2S MolecularWeight: 196.26608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCS

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCS

InChI

InChI=1S/C10H12O2S/c1-12-10(11)9-4-2-8(3-5-9)6-7-13/h2-5,13H,6-7H2,1H3