2,3,3-trimethyl-5-(trifluoromethyl)indol-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 2,3,3-trimethyl-5-(trifluoromethyl)indol-1-ium; 2,4,6-trinitrophenolate Openeye Name: 2,3,3-trimethyl-5-(trifluoromethyl)indol-1-ium; 2,4,6-trinitrophenolate CAS Name: 2,3,3-trimethyl-5-(trifluoromethyl)indol-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 2,3,3-trimethyl-5-(trifluoromethyl)indol-1-ium; 2,4,6-trinitrophenolate Traditional Name: 2,3,3-trimethyl-5-(trifluoromethyl)indol-1-ium picrate Formula: C18H15F3N4O7 MolecularWeight: 456.32951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C1(C)C)C=C(C=C2)C(F)(F)F.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=[NH+]C2=C(C1(C)C)C=C(C=C2)C(F)(F)F.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12F3N.C6H3N3O7/c1-7-11(2,3)9-6-8(12(13,14)15)4-5-10(9)16-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-6H,1-3H3;1-2,10H