3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; butane-1,4-diol; hexanedioic acid

Systemtic Name: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; butane-1,4-diol; hexanedioic acid Openeye Name: adipic acid; 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine; butane-1,4-diol CAS Name: 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine; butane-1,4-diol; hexanedioic acid IUPAC Name: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; butane-1,4-diol; hexanedioic acid Traditional Name: adipic acid; [3-(aminomethyl)-3,5,5-trimethyl-cyclohexyl]amine; butane-1,4-diol Formula: C20H42N2O6 MolecularWeight: 406.55728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H22N2.C6H10O4.C4H10O2/c1-9(2)4-8(12)5-10(3,6-9)7-11;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4-6/h8H,4-7,11-12H2,1-3H3;1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2