2-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-ethoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-ethoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-ethoxy-3-oxo-propanoic acid CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-ethoxy-3-oxopropanoic acid IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-ethoxy-3-oxopropanoic acid Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-ethoxy-3-keto-propionic acid Formula: C13H13ClO6 MolecularWeight: 300.69172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1Cl)OCO2)C(=O)O

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(C=C1Cl)OCO2)C(=O)O

InChI

InChI=1S/C13H13ClO6/c1-2-18-13(17)8(12(15)16)3-7-4-10-11(5-9(7)14)20-6-19-10/h4-5,8H,2-3,6H2,1H3,(H,15,16)