phenyliodanuidylbenzene; 2,4,6-trinitrophenolate

Systemtic Name: phenyliodanuidylbenzene; 2,4,6-trinitrophenolate Openeye Name: phenyliodanuidylbenzene; 2,4,6-trinitrophenolate CAS Name: phenyliodanuidylbenzene; 2,4,6-trinitrophenolate IUPAC Name: phenyliodanuidylbenzene; 2,4,6-trinitrophenolate Traditional Name: phenyliodanuidylbenzene picrate Formula: C18H12IN3O7-2 MolecularWeight: 509.20825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[I-]C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[I-]C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10I.C6H3N3O7/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-10H;1-2,10H/q-1;/p-1