1,2,3,4-tetrahydro-1,7-phenanthroline; 2,4,6-trinitrophenol

Systemtic Name: 1,2,3,4-tetrahydro-1,7-phenanthroline; 2,4,6-trinitrophenol Openeye Name: picric acid; 1,2,3,4-tetrahydro-1,7-phenanthroline CAS Name: 1,2,3,4-tetrahydro-1,7-phenanthroline; 2,4,6-trinitrophenol IUPAC Name: 1,2,3,4-tetrahydro-1,7-phenanthroline; 2,4,6-trinitrophenol Traditional Name: picric acid; 1,2,3,4-tetrahydro-1,7-phenanthroline Formula: C18H15N5O7 MolecularWeight: 413.341

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C(C=C2)N=CC=C3)NC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C3=C(C=C2)N=CC=C3)NC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N2.C6H3N3O7/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2,4-7,14H,1,3,8H2;1-2,10H