5-azanyl-1-[3,5-bis(chloranyl)phenyl]-2,2-dimethyl-hexan-3-one; ethanedioic acid

Systemtic Name: 5-azanyl-1-[3,5-bis(chloranyl)phenyl]-2,2-dimethyl-hexan-3-one; ethanedioic acid Openeye Name: 5-amino-1-(3,5-dichlorophenyl)-2,2-dimethyl-hexan-3-one; oxalic acid CAS Name: 5-amino-1-(3,5-dichlorophenyl)-2,2-dimethyl-3-hexanone; oxalic acid IUPAC Name: 5-amino-1-(3,5-dichlorophenyl)-2,2-dimethylhexan-3-one; oxalic acid Traditional Name: 5-amino-1-(3,5-dichlorophenyl)-2,2-dimethyl-hexan-3-one; oxalic acid Formula: C16H21Cl2NO5 MolecularWeight: 378.24764

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(C)(C)CC1=CC(=CC(=C1)Cl)Cl)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CC(=O)C(C)(C)CC1=CC(=CC(=C1)Cl)Cl)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19Cl2NO.C2H2O4/c1-9(17)4-13(18)14(2,3)8-10-5-11(15)7-12(16)6-10;3-1(4)2(5)6/h5-7,9H,4,8,17H2,1-3H3;(H,3,4)(H,5,6)