2-[6-(phenylmethyl)-1,3-benzodioxol-5-yl]ethanoic acid

Systemtic Name: 2-[6-(phenylmethyl)-1,3-benzodioxol-5-yl]ethanoic acid Openeye Name: 2-(6-benzyl-1,3-benzodioxol-5-yl)acetic acid CAS Name: 2-[6-(phenylmethyl)-1,3-benzodioxol-5-yl]acetic acid IUPAC Name: 2-(6-benzyl-1,3-benzodioxol-5-yl)acetic acid Traditional Name: 2-(6-benzyl-1,3-benzodioxol-5-yl)acetic acid Formula: C16H14O4 MolecularWeight: 270.27996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O4/c17-16(18)9-13-8-15-14(19-10-20-15)7-12(13)6-11-4-2-1-3-5-11/h1-5,7-8H,6,9-10H2,(H,17,18)