2-(1,2-diisocyanato-2,4,4-trimethyl-6-oxidanylidene-cyclohexyl)-2-oxidanyl-ethanoic acid

Systemtic Name: 2-(1,2-diisocyanato-2,4,4-trimethyl-6-oxidanylidene-cyclohexyl)-2-oxidanyl-ethanoic acid Openeye Name: 2-(1,2-diisocyanato-2,4,4-trimethyl-6-oxo-cyclohexyl)-2-hydroxy-acetic acid CAS Name: 2-(1,2-diisocyanato-2,4,4-trimethyl-6-oxocyclohexyl)-2-hydroxyacetic acid IUPAC Name: 2-(1,2-diisocyanato-2,4,4-trimethyl-6-oxocyclohexyl)-2-hydroxyacetic acid Traditional Name: 2-(1,2-diisocyanato-6-keto-2,4,4-trimethyl-cyclohexyl)-2-hydroxy-acetic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1)(C)N=C=O)(C(C(=O)O)O)N=C=O)C

Isomeric SMILES

CC1(CC(=O)C(C(C1)(C)N=C=O)(C(C(=O)O)O)N=C=O)C

InChI

InChI=1S/C13H16N2O6/c1-11(2)4-8(18)13(15-7-17,9(19)10(20)21)12(3,5-11)14-6-16/h9,19H,4-5H2,1-3H3,(H,20,21)