3-(propylsulfanylmethyl)benzoic acid

Systemtic Name: 3-(propylsulfanylmethyl)benzoic acid Openeye Name: 3-(propylsulfanylmethyl)benzoic acid CAS Name: 3-[(propylthio)methyl]benzoic acid IUPAC Name: 3-(propylsulfanylmethyl)benzoic acid Traditional Name: 3-[(propylthio)methyl]benzoic acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCSCC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C11H14O2S/c1-2-6-14-8-9-4-3-5-10(7-9)11(12)13/h3-5,7H,2,6,8H2,1H3,(H,12,13)