2,2-bis(1,3-benzodioxol-5-yl)ethanoic acid

Systemtic Name: 2,2-bis(1,3-benzodioxol-5-yl)ethanoic acid Openeye Name: 2,2-bis(1,3-benzodioxol-5-yl)acetic acid CAS Name: 2,2-bis(1,3-benzodioxol-5-yl)acetic acid IUPAC Name: 2,2-bis(1,3-benzodioxol-5-yl)acetic acid Traditional Name: 2,2-bis(1,3-benzodioxol-5-yl)acetic acid Formula: C16H12O6 MolecularWeight: 300.26288

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C16H12O6/c17-16(18)15(9-1-3-11-13(5-9)21-7-19-11)10-2-4-12-14(6-10)22-8-20-12/h1-6,15H,7-8H2,(H,17,18)