[2,2-dimethyl-3-[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]propyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2,2-dimethyl-3-[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]propyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-(1-hydroxy-3,4-dioxo-2-naphthyl)-2,2-dimethyl-propyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-(1-hydroxy-3,4-dioxo-2-naphthalenyl)-2,2-dimethylpropyl] ester IUPAC Name: [3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-(1-hydroxy-3,4-diketo-2-naphthyl)-2,2-dimethyl-propyl] ester Formula: C23H20O7 MolecularWeight: 408.4007

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C2=CC=CC=C2C(=O)C1=O)O)COC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(CC1=C(C2=CC=CC=C2C(=O)C1=O)O)COC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H20O7/c1-23(2,11-28-22(27)13-7-8-17-18(9-13)30-12-29-17)10-16-19(24)14-5-3-4-6-15(14)20(25)21(16)26/h3-9,24H,10-12H2,1-2H3