methyl 4-(3-sulfanylpropyl)benzoate

Systemtic Name: methyl 4-(3-sulfanylpropyl)benzoate Openeye Name: methyl 4-(3-sulfanylpropyl)benzoate CAS Name: 4-(3-mercaptopropyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-sulfanylpropyl)benzoate Traditional Name: 4-(3-mercaptopropyl)benzoic acid methyl ester Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S/c1-13-11(12)10-6-4-9(5-7-10)3-2-8-14/h4-7,14H,2-3,8H2,1H3