9H-pyrido[3,4-b]indole-7-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 9H-pyrido[3,4-b]indole-7-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 9H-pyrido[3,4-b]indole-7-carboxylic acid; 2,2,2-trifluoroacetic acid CAS Name: 9H-pyrido[3,4-b]indole-7-carboxylic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 9H-pyrido[3,4-b]indole-7-carboxylic acid; 2,2,2-trifluoroacetic acid Traditional Name: 9H-$b-carboline-7-carboxylic acid; 2,2,2-trifluoroacetic acid Formula: C14H9F3N2O4 MolecularWeight: 326.22747

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC3=C2C=CN=C3.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC3=C2C=CN=C3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C12H8N2O2.C2HF3O2/c15-12(16)7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7;3-2(4,5)1(6)7/h1-6,14H,(H,15,16);(H,6,7)