tert-butyl 2-oxidanylideneethanoate; tert-butyl 2-oxidanyl-2-(2-oxidanylidene-4-prop-2-enyl-azetidin-1-yl)ethanoate; hydrate

Systemtic Name: tert-butyl 2-oxidanylideneethanoate; tert-butyl 2-oxidanyl-2-(2-oxidanylidene-4-prop-2-enyl-azetidin-1-yl)ethanoate; hydrate Openeye Name: tert-butyl 2-(2-allyl-4-oxo-azetidin-1-yl)-2-hydroxy-acetate; tert-butyl 2-oxoacetate; hydrate CAS Name: 2-hydroxy-2-(2-oxo-4-prop-2-enyl-1-azetidinyl)acetic acid tert-butyl ester; 2-oxoacetic acid tert-butyl ester; hydrate IUPAC Name: tert-butyl 2-hydroxy-2-(2-oxo-4-prop-2-enylazetidin-1-yl)acetate; tert-butyl 2-oxoacetate; hydrate Traditional Name: 2-(2-allyl-4-keto-azetidin-1-yl)-2-hydroxy-acetic acid tert-butyl ester; 2-ketoacetic acid tert-butyl ester; hydrate Formula: C18H31NO8 MolecularWeight: 389.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=O.CC(C)(C)OC(=O)C(N1C(CC1=O)CC=C)O.O

Isomeric SMILES

CC(C)(C)OC(=O)C=O.CC(C)(C)OC(=O)C(N1C(CC1=O)CC=C)O.O

InChI

InChI=1S/C12H19NO4.C6H10O3.H2O/c1-5-6-8-7-9(14)13(8)10(15)11(16)17-12(2,3)4;1-6(2,3)9-5(8)4-7;/h5,8,10,15H,1,6-7H2,2-4H3;4H,1-3H3;1H2