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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C1(C)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C1(C)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

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