2,2-bis(5-isocyanato-2,3-dimethyl-cyclohexyl)-3-methylidene-butanedioic acid

Systemtic Name: 2,2-bis(5-isocyanato-2,3-dimethyl-cyclohexyl)-3-methylidene-butanedioic acid Openeye Name: 2,2-bis(5-isocyanato-2,3-dimethyl-cyclohexyl)-3-methylene-butanedioic acid CAS Name: 2,2-bis(5-isocyanato-2,3-dimethylcyclohexyl)-3-methylenebutanedioic acid IUPAC Name: 2,2-bis(5-isocyanato-2,3-dimethylcyclohexyl)-3-methylidenebutanedioic acid Traditional Name: 2,2-bis(5-isocyanato-2,3-dimethyl-cyclohexyl)-3-methylene-succinic acid Formula: C23H32N2O6 MolecularWeight: 432.50998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1C)C(C2CC(CC(C2C)C)N=C=O)(C(=C)C(=O)O)C(=O)O)N=C=O

Isomeric SMILES

CC1CC(CC(C1C)C(C2CC(CC(C2C)C)N=C=O)(C(=C)C(=O)O)C(=O)O)N=C=O

InChI

InChI=1S/C23H32N2O6/c1-12-6-17(24-10-26)8-19(14(12)3)23(22(30)31,16(5)21(28)29)20-9-18(25-11-27)7-13(2)15(20)4/h12-15,17-20H,5-9H2,1-4H3,(H,28,29)(H,30,31)