3-[2-(1,3-benzodioxol-5-yl)-4-methoxy-4-oxidanylidene-butyl]-2-methyl-benzoic acid

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-4-methoxy-4-oxidanylidene-butyl]-2-methyl-benzoic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-4-methoxy-4-oxo-butyl]-2-methyl-benzoic acid CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-4-methoxy-4-oxobutyl]-2-methylbenzoic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-4-methoxy-4-oxobutyl]-2-methylbenzoic acid Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-4-keto-4-methoxy-butyl]-2-methyl-benzoic acid Formula: C20H20O6 MolecularWeight: 356.3692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CC(CC(=O)OC)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1CC(CC(=O)OC)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C20H20O6/c1-12-13(4-3-5-16(12)20(22)23)8-15(10-19(21)24-2)14-6-7-17-18(9-14)26-11-25-17/h3-7,9,15H,8,10-11H2,1-2H3,(H,22,23)