3-[(phenylmethylsulfanyl)methyl]benzoate

Systemtic Name: 3-[(phenylmethylsulfanyl)methyl]benzoate Openeye Name: 3-(benzylsulfanylmethyl)benzoate CAS Name: 3-[(phenylmethylthio)methyl]benzoate IUPAC Name: 3-(benzylsulfanylmethyl)benzoate Traditional Name: 3-[(benzylthio)methyl]benzoate Formula: C15H13O2S- MolecularWeight: 257.32752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H14O2S/c16-15(17)14-8-4-7-13(9-14)11-18-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,16,17)/p-1