3-(ethylsulfanylmethyl)benzoic acid

Systemtic Name: 3-(ethylsulfanylmethyl)benzoic acid Openeye Name: 3-(ethylsulfanylmethyl)benzoic acid CAS Name: 3-[(ethylthio)methyl]benzoic acid IUPAC Name: 3-(ethylsulfanylmethyl)benzoic acid Traditional Name: 3-[(ethylthio)methyl]benzoic acid Formula: C10H12O2S MolecularWeight: 196.26608

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCSCC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C10H12O2S/c1-2-13-7-8-4-3-5-9(6-8)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)