3-(aminomethyl)-2-azanyl-5,5-dimethyl-cyclohex-2-en-1-one; hexanedioic acid

Systemtic Name: 3-(aminomethyl)-2-azanyl-5,5-dimethyl-cyclohex-2-en-1-one; hexanedioic acid Openeye Name: adipic acid; 2-amino-3-(aminomethyl)-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-amino-3-(aminomethyl)-5,5-dimethyl-1-cyclohex-2-enone; hexanedioic acid IUPAC Name: 2-amino-3-(aminomethyl)-5,5-dimethylcyclohex-2-en-1-one; hexanedioic acid Traditional Name: adipic acid; 2-amino-3-(aminomethyl)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C15H26N2O5 MolecularWeight: 314.37734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O.C6H10O4/c1-9(2)3-6(5-10)8(11)7(12)4-9;7-5(8)3-1-2-4-6(9)10/h3-5,10-11H2,1-2H3;1-4H2,(H,7,8)(H,9,10)