[cyclohexyl(diisocyanato)methyl]cyclohexane; hexanedioic acid

Systemtic Name: [cyclohexyl(diisocyanato)methyl]cyclohexane; hexanedioic acid Openeye Name: adipic acid; [cyclohexyl(diisocyanato)methyl]cyclohexane CAS Name: [cyclohexyl(diisocyanato)methyl]cyclohexane; hexanedioic acid IUPAC Name: [cyclohexyl(diisocyanato)methyl]cyclohexane; hexanedioic acid Traditional Name: adipic acid; [cyclohexyl(diisocyanato)methyl]cyclohexane Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2CCCCC2)(N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C1CCC(CC1)C(C2CCCCC2)(N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C15H22N2O2.C6H10O4/c18-11-16-15(17-12-19,13-7-3-1-4-8-13)14-9-5-2-6-10-14;7-5(8)3-1-2-4-6(9)10/h13-14H,1-10H2;1-4H2,(H,7,8)(H,9,10)