1,2-bis(4-isocyanatocyclohexyl)cyclohex-4-ene-1,2-dicarboxylic acid

Systemtic Name: 1,2-bis(4-isocyanatocyclohexyl)cyclohex-4-ene-1,2-dicarboxylic acid Openeye Name: 1,2-bis(4-isocyanatocyclohexyl)cyclohex-4-ene-1,2-dicarboxylic acid CAS Name: 1,2-bis(4-isocyanatocyclohexyl)cyclohex-4-ene-1,2-dicarboxylic acid IUPAC Name: 1,2-bis(4-isocyanatocyclohexyl)cyclohex-4-ene-1,2-dicarboxylic acid Traditional Name: 1,2-bis(4-isocyanatocyclohexyl)cyclohex-4-ene-1,2-dicarboxylic acid Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2(CC=CCC2(C3CCC(CC3)N=C=O)C(=O)O)C(=O)O)N=C=O

Isomeric SMILES

C1CC(CCC1C2(CC=CCC2(C3CCC(CC3)N=C=O)C(=O)O)C(=O)O)N=C=O

InChI

InChI=1S/C22H28N2O6/c25-13-23-17-7-3-15(4-8-17)21(19(27)28)11-1-2-12-22(21,20(29)30)16-5-9-18(10-6-16)24-14-26/h1-2,15-18H,3-12H2,(H,27,28)(H,29,30)