[3-(isocyanatomethylcarbamoyloxy)-2,2-bis(isocyanatomethylcarbamoyloxymethyl)propyl] N-(isocyanatomethyl)carbamate

Systemtic Name: [3-(isocyanatomethylcarbamoyloxy)-2,2-bis(isocyanatomethylcarbamoyloxymethyl)propyl] N-(isocyanatomethyl)carbamate Openeye Name: [3-(isocyanatomethylcarbamoyloxy)-2,2-bis(isocyanatomethylcarbamoyloxymethyl)propyl] N-(isocyanatomethyl)carbamate CAS Name: N-(isocyanatomethyl)carbamic acid [3-[(isocyanatomethylamino)-oxomethoxy]-2,2-bis[[(isocyanatomethylamino)-oxomethoxy]methyl]propyl] ester IUPAC Name: [3-(isocyanatomethylcarbamoyloxy)-2,2-bis(isocyanatomethylcarbamoyloxymethyl)propyl] N-(isocyanatomethyl)carbamate Traditional Name: N-(isocyanatomethyl)carbamic acid [3-(isocyanatomethylcarbamoyloxy)-2,2-bis(isocyanatomethylcarbamoyloxymethyl)propyl] ester Formula: C17H20N8O12 MolecularWeight: 528.3871

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Descriptors Computed from Structure

Canonical SMILES:

C(C(COC(=O)NCN=C=O)(COC(=O)NCN=C=O)COC(=O)NCN=C=O)OC(=O)NCN=C=O

Isomeric SMILES

C(C(COC(=O)NCN=C=O)(COC(=O)NCN=C=O)COC(=O)NCN=C=O)OC(=O)NCN=C=O

InChI

InChI=1S/C17H20N8O12/c26-9-18-5-22-13(30)34-1-17(2-35-14(31)23-6-19-10-27,3-36-15(32)24-7-20-11-28)4-37-16(33)25-8-21-12-29/h1-8H2,(H,22,30)(H,23,31)(H,24,32)(H,25,33)