3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; benzene-1,3-dicarboxylic acid; hexanedioic acid; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane

Systemtic Name: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; benzene-1,3-dicarboxylic acid; hexanedioic acid; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Openeye Name: adipic acid; 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; isophthalic acid CAS Name: 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine; benzene-1,3-dicarboxylic acid; hexanedioic acid; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane IUPAC Name: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; benzene-1,3-dicarboxylic acid; hexanedioic acid; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Traditional Name: adipic acid; [3-(aminomethyl)-3,5,5-trimethyl-cyclohexyl]amine; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; isophthalic acid Formula: C45H74N4O12 MolecularWeight: 863.08866

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)CN)N)C.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC1(CC(CC(C1)(C)CN)N)C.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C15H22N2O2.C10H22N2.C8H6O4.C6H10O4.C6H14O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;1-9(2)4-8(12)5-10(3,6-9)7-11;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8/h12-15H,1-9H2;8H,4-7,11-12H2,1-3H3;1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2