3,4-bis(4-isocyanatocyclohexyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

Systemtic Name: 3,4-bis(4-isocyanatocyclohexyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid Openeye Name: 3,4-bis(4-isocyanatocyclohexyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid CAS Name: 3,4-bis(4-isocyanatocyclohexyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid IUPAC Name: 3,4-bis(4-isocyanatocyclohexyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid Traditional Name: 3,4-bis(4-isocyanatocyclohexyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C23CC(C=C2)C(C3(C4CCC(CC4)N=C=O)C(=O)O)C(=O)O)N=C=O

Isomeric SMILES

C1CC(CCC1C23CC(C=C2)C(C3(C4CCC(CC4)N=C=O)C(=O)O)C(=O)O)N=C=O

InChI

InChI=1S/C23H28N2O6/c26-12-24-17-5-1-15(2-6-17)22-10-9-14(11-22)19(20(28)29)23(22,21(30)31)16-3-7-18(8-4-16)25-13-27/h9-10,14-19H,1-8,11H2,(H,28,29)(H,30,31)