4-(6-chloranyl-1,3-benzodioxol-5-yl)-3-oxidanylidene-butanoic acid

Systemtic Name: 4-(6-chloranyl-1,3-benzodioxol-5-yl)-3-oxidanylidene-butanoic acid Openeye Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-3-oxo-butanoic acid CAS Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-3-oxobutanoic acid IUPAC Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-3-oxobutanoic acid Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-3-keto-butyric acid Formula: C11H9ClO5 MolecularWeight: 256.63916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9ClO5/c12-8-4-10-9(16-5-17-10)2-6(8)1-7(13)3-11(14)15/h2,4H,1,3,5H2,(H,14,15)