4-(dimethylamino)-4,5-dimethyl-2-phenyl-hexanenitrile; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 4-(dimethylamino)-4,5-dimethyl-2-phenyl-hexanenitrile; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 4-(dimethylamino)-4,5-dimethyl-2-phenyl-hexanenitrile CAS Name: 4-(dimethylamino)-4,5-dimethyl-2-phenylhexanenitrile; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 4-(dimethylamino)-4,5-dimethyl-2-phenylhexanenitrile; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 4-(dimethylamino)-4,5-dimethyl-2-phenyl-hexanenitrile Formula: C22H32N2O7 MolecularWeight: 436.49868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(CC(C#N)C1=CC=CC=C1)N(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C)C(C)(CC(C#N)C1=CC=CC=C1)N(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H24N2.C6H8O7/c1-13(2)16(3,18(4)5)11-15(12-17)14-9-7-6-8-10-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-10,13,15H,11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)