4-(1,5-diisocyanato-3-methyl-pentan-3-yl)cyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: 4-(1,5-diisocyanato-3-methyl-pentan-3-yl)cyclohex-4-ene-1,2-dicarboxylate Openeye Name: 4-[3-isocyanato-1-(2-isocyanatoethyl)-1-methyl-propyl]cyclohex-4-ene-1,2-dicarboxylate CAS Name: 4-(1,5-diisocyanato-3-methylpentan-3-yl)cyclohex-4-ene-1,2-dicarboxylate IUPAC Name: 4-(1,5-diisocyanato-3-methylpentan-3-yl)cyclohex-4-ene-1,2-dicarboxylate Traditional Name: 4-[3-isocyanato-1-(2-isocyanatoethyl)-1-methyl-propyl]cyclohex-4-ene-1,2-dicarboxylate Formula: C16H18N2O6-2 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN=C=O)(CCN=C=O)C1=CCC(C(C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(CCN=C=O)(CCN=C=O)C1=CCC(C(C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H20N2O6/c1-16(4-6-17-9-19,5-7-18-10-20)11-2-3-12(14(21)22)13(8-11)15(23)24/h2,12-13H,3-8H2,1H3,(H,21,22)(H,23,24)/p-2