3-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]propanoic acid

Systemtic Name: 3-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]propanoic acid Openeye Name: 3-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]propanoic acid CAS Name: 3-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]propanoic acid IUPAC Name: 3-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]propanoic acid Traditional Name: 3-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]propionic acid Formula: C16H13ClO4 MolecularWeight: 304.72502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC(O2)(CCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)OC(O2)(CCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClO4/c17-12-7-5-11(6-8-12)16(10-9-15(18)19)20-13-3-1-2-4-14(13)21-16/h1-8H,9-10H2,(H,18,19)