5-methyl-6-(2-methylphenyl)carbonyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-methyl-6-(2-methylphenyl)carbonyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-methyl-6-(2-methylbenzoyl)-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-methyl-6-[(2-methylphenyl)-oxomethyl]-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-methyl-6-(2-methylbenzoyl)-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-methyl-6-o-toluoyl-1,3-benzodioxole-2-carboxylic acid Formula: C17H14O5 MolecularWeight: 298.29006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CC3=C(C=C2C)OC(O3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CC3=C(C=C2C)OC(O3)C(=O)O

InChI

InChI=1S/C17H14O5/c1-9-5-3-4-6-11(9)15(18)12-8-14-13(7-10(12)2)21-17(22-14)16(19)20/h3-8,17H,1-2H3,(H,19,20)