1,5-dicyclohexyl-5-(dimethylamino)-4,4-dimethyl-pentan-1-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 1,5-dicyclohexyl-5-(dimethylamino)-4,4-dimethyl-pentan-1-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 1,5-dicyclohexyl-5-(dimethylamino)-4,4-dimethyl-pentan-1-one CAS Name: 1,5-dicyclohexyl-5-(dimethylamino)-4,4-dimethyl-1-pentanone; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1,5-dicyclohexyl-5-(dimethylamino)-4,4-dimethylpentan-1-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 1,5-dicyclohexyl-5-(dimethylamino)-4,4-dimethyl-pentan-1-one Formula: C27H47NO8 MolecularWeight: 513.66398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(=O)C1CCCCC1)C(C2CCCCC2)N(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C)(CCC(=O)C1CCCCC1)C(C2CCCCC2)N(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H39NO.C6H8O7/c1-21(2,16-15-19(23)17-11-7-5-8-12-17)20(22(3)4)18-13-9-6-10-14-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h17-18,20H,5-16H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)