ethyl carbamate; [2-(hydroxymethyl)-2-(3-oxidanylidenebutanoyloxymethyl)butyl] 3-oxidanylidenebutanoate

Systemtic Name: ethyl carbamate; [2-(hydroxymethyl)-2-(3-oxidanylidenebutanoyloxymethyl)butyl] 3-oxidanylidenebutanoate Openeye Name: ethyl carbamate; [2-(hydroxymethyl)-2-(3-oxobutanoyloxymethyl)butyl] 3-oxobutanoate CAS Name: carbamic acid ethyl ester; 3-oxobutanoic acid [2-(1,3-dioxobutoxymethyl)-2-(hydroxymethyl)butyl] ester IUPAC Name: ethyl carbamate; [2-(hydroxymethyl)-2-(3-oxobutanoyloxymethyl)butyl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [2-(acetoacetyloxymethyl)-2-methylol-butyl] ester; urethan Formula: C17H29NO9 MolecularWeight: 391.41346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(COC(=O)CC(=O)C)COC(=O)CC(=O)C.CCOC(=O)N

Isomeric SMILES

CCC(CO)(COC(=O)CC(=O)C)COC(=O)CC(=O)C.CCOC(=O)N

InChI

InChI=1S/C14H22O7.C3H7NO2/c1-4-14(7-15,8-20-12(18)5-10(2)16)9-21-13(19)6-11(3)17;1-2-6-3(4)5/h15H,4-9H2,1-3H3;2H2,1H3,(H2,4,5)