2-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 2-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 2-(4-isobutylphenyl)-2-methyl-1,3-benzodioxole-5-carboxylic acid CAS Name: 2-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 2-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-benzodioxole-5-carboxylic acid Traditional Name: 2-(4-isobutylphenyl)-2-methyl-piperonylic acid Formula: C19H20O4 MolecularWeight: 312.3597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2(OC3=C(O2)C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2(OC3=C(O2)C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C19H20O4/c1-12(2)10-13-4-7-15(8-5-13)19(3)22-16-9-6-14(18(20)21)11-17(16)23-19/h4-9,11-12H,10H2,1-3H3,(H,20,21)