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

Systemtic Name: 2-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]butanoic acid Openeye Name: 2-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]butanoic acid CAS Name: 2-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]butanoic acid IUPAC Name: 2-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]butanoic acid Traditional Name: 2-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]butyric acid Formula: C17H15ClO4 MolecularWeight: 318.7516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)C1(OC2=CC=CC=C2O1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)O)C1(OC2=CC=CC=C2O1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClO4/c1-2-13(16(19)20)17(11-7-9-12(18)10-8-11)21-14-5-3-4-6-15(14)22-17/h3-10,13H,2H2,1H3,(H,19,20)