3-(1,3-benzodioxol-5-yl)-4-methyl-benzoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-benzoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-benzoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-4-methylbenzoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-methylbenzoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-benzoic acid Formula: C15H12O4 MolecularWeight: 256.25338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12O4/c1-9-2-3-11(15(16)17)6-12(9)10-4-5-13-14(7-10)19-8-18-13/h2-7H,8H2,1H3,(H,16,17)