4-(2-chloroethyloxy)-3-oxidanylidene-butanoic acid; ethyl 4-(2-chloroethyloxy)-3-oxidanylidene-butanoate

Systemtic Name: 4-(2-chloroethyloxy)-3-oxidanylidene-butanoic acid; ethyl 4-(2-chloroethyloxy)-3-oxidanylidene-butanoate Openeye Name: 4-(2-chloroethoxy)-3-oxo-butanoic acid; ethyl 4-(2-chloroethoxy)-3-oxo-butanoate CAS Name: 4-(2-chloroethoxy)-3-oxobutanoic acid; 4-(2-chloroethoxy)-3-oxobutanoic acid ethyl ester IUPAC Name: 4-(2-chloroethoxy)-3-oxobutanoic acid; ethyl 4-(2-chloroethoxy)-3-oxobutanoate Traditional Name: 4-(2-chloroethoxy)-3-keto-butyric acid; 4-(2-chloroethoxy)-3-keto-butyric acid ethyl ester Formula: C14H22Cl2O8 MolecularWeight: 389.22568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)COCCCl.C(CCl)OCC(=O)CC(=O)O

Isomeric SMILES

CCOC(=O)CC(=O)COCCCl.C(CCl)OCC(=O)CC(=O)O

InChI

InChI=1S/C8H13ClO4.C6H9ClO4/c1-2-13-8(11)5-7(10)6-12-4-3-9;7-1-2-11-4-5(8)3-6(9)10/h2-6H2,1H3;1-4H2,(H,9,10)