3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; 1,3-diisocyanato-2-methyl-benzene; hexanedioic acid; propane-1,2-diol

Systemtic Name: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; 1,3-diisocyanato-2-methyl-benzene; hexanedioic acid; propane-1,2-diol Openeye Name: adipic acid; 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine; 1,3-diisocyanato-2-methyl-benzene; propane-1,2-diol CAS Name: 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine; 1,3-diisocyanato-2-methylbenzene; hexanedioic acid; propane-1,2-diol IUPAC Name: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; 1,3-diisocyanato-2-methylbenzene; hexanedioic acid; propane-1,2-diol Traditional Name: adipic acid; [3-(aminomethyl)-3,5,5-trimethyl-cyclohexyl]amine; 1,3-diisocyanato-2-methyl-benzene; propane-1,2-diol Formula: C28H46N4O8 MolecularWeight: 566.68684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N=C=O)N=C=O.CC(CO)O.CC1(CC(CC(C1)(C)CN)N)C.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC1=C(C=CC=C1N=C=O)N=C=O.CC(CO)O.CC1(CC(CC(C1)(C)CN)N)C.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C10H22N2.C9H6N2O2.C6H10O4.C3H8O2/c1-9(2)4-8(12)5-10(3,6-9)7-11;1-7-8(10-5-12)3-2-4-9(7)11-6-13;7-5(8)3-1-2-4-6(9)10;1-3(5)2-4/h8H,4-7,11-12H2,1-3H3;2-4H,1H3;1-4H2,(H,7,8)(H,9,10);3-5H,2H2,1H3