4-[[5-(1,3-benzodioxol-5-ylmethoxycarbonyl)-2-methoxy-phenyl]carbonyloxymethyl]benzoic acid

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-ylmethoxycarbonyl)-2-methoxy-phenyl]carbonyloxymethyl]benzoic acid Openeye Name: 4-[[5-(1,3-benzodioxol-5-ylmethoxycarbonyl)-2-methoxy-benzoyl]oxymethyl]benzoic acid CAS Name: 4-[[[5-[1,3-benzodioxol-5-ylmethoxy(oxo)methyl]-2-methoxyphenyl]-oxomethoxy]methyl]benzoic acid IUPAC Name: 4-[[5-(1,3-benzodioxol-5-ylmethoxycarbonyl)-2-methoxybenzoyl]oxymethyl]benzoic acid Traditional Name: 4-[(2-methoxy-5-piperonyloxycarbonyl-benzoyl)oxymethyl]benzoic acid Formula: C25H20O9 MolecularWeight: 464.4209

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H20O9/c1-30-20-9-7-18(24(28)31-13-16-4-8-21-22(10-16)34-14-33-21)11-19(20)25(29)32-12-15-2-5-17(6-3-15)23(26)27/h2-11H,12-14H2,1H3,(H,26,27)