hexanedioic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; 3-(3-oxidanylpropoxy)propan-1-ol

Systemtic Name: hexanedioic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; 3-(3-oxidanylpropoxy)propan-1-ol Openeye Name: adipic acid; 3-(3-hydroxypropoxy)propan-1-ol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane CAS Name: hexanedioic acid; 3-(3-hydroxypropoxy)-1-propanol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane IUPAC Name: hexanedioic acid; 3-(3-hydroxypropoxy)propan-1-ol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Traditional Name: adipic acid; 3-(3-hydroxypropoxy)propan-1-ol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Formula: C27H46N2O9 MolecularWeight: 542.66214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CO)COCCCO

Isomeric SMILES

C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CO)COCCCO

InChI

InChI=1S/C15H22N2O2.C6H10O4.C6H14O3/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;7-5(8)3-1-2-4-6(9)10;7-3-1-5-9-6-2-4-8/h12-15H,1-9H2;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2