2,4-bis(6-isocyanatohexyl)-1-oxidanylidene-1,2-diazetidin-1-ium-3-one

Systemtic Name: 2,4-bis(6-isocyanatohexyl)-1-oxidanylidene-1,2-diazetidin-1-ium-3-one Openeye Name: 2,4-bis(6-isocyanatohexyl)-1-oxo-diazetidin-1-ium-3-one CAS Name: 2,4-bis(6-isocyanatohexyl)-1-oxo-3-diazetidin-1-iumone IUPAC Name: 2,4-bis(6-isocyanatohexyl)-1-oxodiazetidin-1-ium-3-one Traditional Name: 2,4-bis(6-isocyanatohexyl)-1-keto-diazetidin-1-ium-3-one Formula: C16H25N4O4+ MolecularWeight: 337.3941

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCN=C=O)CCC1C(=O)N([N+]1=O)CCCCCCN=C=O

Isomeric SMILES

C(CCCN=C=O)CCC1C(=O)N([N+]1=O)CCCCCCN=C=O

InChI

InChI=1S/C16H25N4O4/c21-13-17-10-6-2-1-5-9-15-16(23)19(20(15)24)12-8-4-3-7-11-18-14-22/h15H,1-12H2/q+1