2-oxidanyl-2-oxidanylidene-ethanoate; propyl N-(2-octoxyphenyl)carbamate

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; propyl N-(2-octoxyphenyl)carbamate Openeye Name: 2-hydroxy-2-oxo-acetate; propyl N-(2-octoxyphenyl)carbamate CAS Name: 2-hydroxy-2-oxoacetate; N-(2-octoxyphenyl)carbamic acid propyl ester IUPAC Name: 2-hydroxy-2-oxoacetate; propyl N-(2-octoxyphenyl)carbamate Traditional Name: N-(2-octoxyphenyl)carbamic acid propyl ester binoxalate Formula: C20H30NO7- MolecularWeight: 396.4547

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1NC(=O)OCCC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1NC(=O)OCCC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H29NO3.C2H2O4/c1-3-5-6-7-8-11-15-21-17-13-10-9-12-16(17)19-18(20)22-14-4-2;3-1(4)2(5)6/h9-10,12-13H,3-8,11,14-15H2,1-2H3,(H,19,20);(H,3,4)(H,5,6)/p-1