2-[6-(4-methylphenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoic acid

Systemtic Name: 2-[6-(4-methylphenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoic acid Openeye Name: 2-[6-(4-methylbenzoyl)-1,3-benzodioxol-5-yl]acetic acid CAS Name: 2-[6-[(4-methylphenyl)-oxomethyl]-1,3-benzodioxol-5-yl]acetic acid IUPAC Name: 2-[6-(4-methylbenzoyl)-1,3-benzodioxol-5-yl]acetic acid Traditional Name: 2-(6-p-toluoyl-1,3-benzodioxol-5-yl)acetic acid Formula: C17H14O5 MolecularWeight: 298.29006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2CC(=O)O)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2CC(=O)O)OCO3

InChI

InChI=1S/C17H14O5/c1-10-2-4-11(5-3-10)17(20)13-8-15-14(21-9-22-15)6-12(13)7-16(18)19/h2-6,8H,7,9H2,1H3,(H,18,19)