2-butoxy-2-oxidanylidene-ethanoic acid; butyl 2-oxidanylidene-2-(2-phenoxyphenyl)ethanoate; octachloride

Systemtic Name: 2-butoxy-2-oxidanylidene-ethanoic acid; butyl 2-oxidanylidene-2-(2-phenoxyphenyl)ethanoate; octachloride Openeye Name: 2-butoxy-2-oxo-acetic acid; butyl 2-oxo-2-(2-phenoxyphenyl)acetate; octachloride CAS Name: 2-butoxy-2-oxoacetic acid; 2-oxo-2-(2-phenoxyphenyl)acetic acid butyl ester; octachloride IUPAC Name: 2-butoxy-2-oxoacetic acid; butyl 2-oxo-2-(2-phenoxyphenyl)acetate; octachloride Traditional Name: 2-butoxy-2-keto-acetic acid; 2-keto-2-(2-phenoxyphenyl)acetic acid butyl ester; octachloride Formula: C24H28Cl8O8-8 MolecularWeight: 728.09832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=O)C1=CC=CC=C1OC2=CC=CC=C2.CCCCOC(=O)C(=O)O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CCCCOC(=O)C(=O)C1=CC=CC=C1OC2=CC=CC=C2.CCCCOC(=O)C(=O)O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C18H18O4.C6H10O4.8ClH/c1-2-3-13-21-18(20)17(19)15-11-7-8-12-16(15)22-14-9-5-4-6-10-14;1-2-3-4-10-6(9)5(7)8;;;;;;;;/h4-12H,2-3,13H2,1H3;2-4H2,1H3,(H,7,8);8*1H/p-8