2,3-bis(oxidanyl)butanedioic acid; 3-(trifluoromethyl)aniline

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 3-(trifluoromethyl)aniline Openeye Name: 2,3-dihydroxybutanedioic acid; 3-(trifluoromethyl)aniline CAS Name: 2,3-dihydroxybutanedioic acid; 3-(trifluoromethyl)aniline IUPAC Name: 2,3-dihydroxybutanedioic acid; 3-(trifluoromethyl)aniline Traditional Name: tartaric acid; [3-(trifluoromethyl)phenyl]amine Formula: C18H18F6N2O6 MolecularWeight: 472.335739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H6F3N.C4H6O6/c2*8-7(9,10)5-2-1-3-6(11)4-5;5-1(3(7)8)2(6)4(9)10/h2*1-4H,11H2;1-2,5-6H,(H,7,8)(H,9,10)