2,7-diisocyanato-2,7-dimethyl-octanedioic acid

Systemtic Name: 2,7-diisocyanato-2,7-dimethyl-octanedioic acid Openeye Name: 2,7-diisocyanato-2,7-dimethyl-octanedioic acid CAS Name: 2,7-diisocyanato-2,7-dimethyloctanedioic acid IUPAC Name: 2,7-diisocyanato-2,7-dimethyloctanedioic acid Traditional Name: 2,7-diisocyanato-2,7-dimethyl-suberic acid Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6/c1-11(9(17)18,13-7-15)5-3-4-6-12(2,10(19)20)14-8-16/h3-6H2,1-2H3,(H,17,18)(H,19,20)