2-(1,3-benzodioxol-5-ylmethylsulfanyl)benzoate

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)benzoate Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)benzoate CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)benzoate IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)benzoate Traditional Name: 2-(piperonylthio)benzoate Formula: C15H11O4S- MolecularWeight: 287.31044

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C15H12O4S/c16-15(17)11-3-1-2-4-14(11)20-8-10-5-6-12-13(7-10)19-9-18-12/h1-7H,8-9H2,(H,16,17)/p-1