3-(1,3-benzodioxol-5-ylmethoxymethyl)benzoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethoxymethyl)benzoic acid Openeye Name: 3-(1,3-benzodioxol-5-ylmethoxymethyl)benzoic acid CAS Name: 3-(1,3-benzodioxol-5-ylmethoxymethyl)benzoic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylmethoxymethyl)benzoic acid Traditional Name: 3-(piperonyloxymethyl)benzoic acid Formula: C16H14O5 MolecularWeight: 286.27936

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H14O5/c17-16(18)13-3-1-2-11(6-13)8-19-9-12-4-5-14-15(7-12)21-10-20-14/h1-7H,8-10H2,(H,17,18)