2,6-diisocyanato-4-(2-isocyanato-1-oxidanyl-1-oxidanylidene-propan-2-yl)-2,6-dimethyl-heptanedioic acid

Systemtic Name: 2,6-diisocyanato-4-(2-isocyanato-1-oxidanyl-1-oxidanylidene-propan-2-yl)-2,6-dimethyl-heptanedioic acid Openeye Name: 4-(2-hydroxy-1-isocyanato-1-methyl-2-oxo-ethyl)-2,6-diisocyanato-2,6-dimethyl-heptanedioic acid CAS Name: 4-(1-hydroxy-2-isocyanato-1-oxopropan-2-yl)-2,6-diisocyanato-2,6-dimethylheptanedioic acid IUPAC Name: 4-(1-hydroxy-2-isocyanato-1-oxopropan-2-yl)-2,6-diisocyanato-2,6-dimethylheptanedioic acid Traditional Name: 4-(2-hydroxy-1-isocyanato-2-keto-1-methyl-ethyl)-2,6-diisocyanato-2,6-dimethyl-pimelic acid Formula: C15H17N3O9 MolecularWeight: 383.31018

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(C)(C(=O)O)N=C=O)C(C)(C(=O)O)N=C=O)(C(=O)O)N=C=O

Isomeric SMILES

CC(CC(CC(C)(C(=O)O)N=C=O)C(C)(C(=O)O)N=C=O)(C(=O)O)N=C=O

InChI

InChI=1S/C15H17N3O9/c1-13(10(22)23,16-6-19)4-9(15(3,12(26)27)18-8-21)5-14(2,11(24)25)17-7-20/h9H,4-5H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)