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

Systemtic Name: 2-[6-(4-chlorophenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoic acid Openeye Name: 2-[6-(4-chlorobenzoyl)-1,3-benzodioxol-5-yl]acetic acid CAS Name: 2-[6-[(4-chlorophenyl)-oxomethyl]-1,3-benzodioxol-5-yl]acetic acid IUPAC Name: 2-[6-(4-chlorobenzoyl)-1,3-benzodioxol-5-yl]acetic acid Traditional Name: 2-[6-(4-chlorobenzoyl)-1,3-benzodioxol-5-yl]acetic acid Formula: C16H11ClO5 MolecularWeight: 318.70854

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC(=O)O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC(=O)O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H11ClO5/c17-11-3-1-9(2-4-11)16(20)12-7-14-13(21-8-22-14)5-10(12)6-15(18)19/h1-5,7H,6,8H2,(H,18,19)