3,3-dimethyl-2-phenyl-indole; 2,4,6-trinitrophenol

Systemtic Name: 3,3-dimethyl-2-phenyl-indole; 2,4,6-trinitrophenol Openeye Name: 3,3-dimethyl-2-phenyl-indole; picric acid CAS Name: 3,3-dimethyl-2-phenylindole; 2,4,6-trinitrophenol IUPAC Name: 3,3-dimethyl-2-phenylindole; 2,4,6-trinitrophenol Traditional Name: 3,3-dimethyl-2-phenyl-indole; picric acid Formula: C22H18N4O7 MolecularWeight: 450.40092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N=C1C3=CC=CC=C3)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1(C2=CC=CC=C2N=C1C3=CC=CC=C3)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N.C6H3N3O7/c1-16(2)13-10-6-7-11-14(13)17-15(16)12-8-4-3-5-9-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-11H,1-2H3;1-2,10H