1,2-bis(4-isocyanato-3-methyl-cyclohexyl)cyclohex-4-ene-1,2-dicarboxylic acid

Systemtic Name: 1,2-bis(4-isocyanato-3-methyl-cyclohexyl)cyclohex-4-ene-1,2-dicarboxylic acid Openeye Name: 1,2-bis(4-isocyanato-3-methyl-cyclohexyl)cyclohex-4-ene-1,2-dicarboxylic acid CAS Name: 1,2-bis(4-isocyanato-3-methylcyclohexyl)cyclohex-4-ene-1,2-dicarboxylic acid IUPAC Name: 1,2-bis(4-isocyanato-3-methylcyclohexyl)cyclohex-4-ene-1,2-dicarboxylic acid Traditional Name: 1,2-bis(4-isocyanato-3-methyl-cyclohexyl)cyclohex-4-ene-1,2-dicarboxylic acid Formula: C24H32N2O6 MolecularWeight: 444.52068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1N=C=O)C2(CC=CCC2(C3CCC(C(C3)C)N=C=O)C(=O)O)C(=O)O

Isomeric SMILES

CC1CC(CCC1N=C=O)C2(CC=CCC2(C3CCC(C(C3)C)N=C=O)C(=O)O)C(=O)O

InChI

InChI=1S/C24H32N2O6/c1-15-11-17(5-7-19(15)25-13-27)23(21(29)30)9-3-4-10-24(23,22(31)32)18-6-8-20(26-14-28)16(2)12-18/h3-4,15-20H,5-12H2,1-2H3,(H,29,30)(H,31,32)