4-(1,3-benzodioxol-5-ylmethylsulfanyl)benzoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)benzoic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)benzoic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethylthio)benzoic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)benzoic acid Traditional Name: 4-(piperonylthio)benzoic acid Formula: C15H12O4S MolecularWeight: 288.31838

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=CC=C(C=C3)C(=O)O

InChI

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