hexanedioic acid; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 3-(3-oxidanylpropoxy)propan-1-ol

Systemtic Name: hexanedioic acid; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 3-(3-oxidanylpropoxy)propan-1-ol Openeye Name: adipic acid; 3-(3-hydroxypropoxy)propan-1-ol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane CAS Name: hexanedioic acid; 3-(3-hydroxypropoxy)-1-propanol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane IUPAC Name: hexanedioic acid; 3-(3-hydroxypropoxy)propan-1-ol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane Traditional Name: adipic acid; 3-(3-hydroxypropoxy)propan-1-ol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane Formula: C24H42N2O9 MolecularWeight: 502.59828

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C(CCC(=O)O)CC(=O)O.C(CO)COCCCO

Isomeric SMILES

CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C(CCC(=O)O)CC(=O)O.C(CO)COCCCO

InChI

InChI=1S/C12H18N2O2.C6H10O4.C6H14O3/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;7-5(8)3-1-2-4-6(9)10;7-3-1-5-9-6-2-4-8/h10H,4-7H2,1-3H3;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2