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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)benzoic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)benzoic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)benzoic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)benzoic acid Traditional Name: 4-piperonylbenzoic acid Formula: C15H12O4 MolecularWeight: 256.25338

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H12O4/c16-15(17)12-4-1-10(2-5-12)7-11-3-6-13-14(8-11)19-9-18-13/h1-6,8H,7,9H2,(H,16,17)