benzene; diphenyl(2-pyridin-1-ium-4-ylethyl)phosphane; 2,4,6-trinitrophenolate

Systemtic Name: benzene; diphenyl(2-pyridin-1-ium-4-ylethyl)phosphane; 2,4,6-trinitrophenolate Openeye Name: benzene; diphenyl(2-pyridin-1-ium-4-ylethyl)phosphane; 2,4,6-trinitrophenolate CAS Name: benzene; diphenyl-[2-(4-pyridin-1-iumyl)ethyl]phosphine; 2,4,6-trinitrophenolate IUPAC Name: benzene; diphenyl(2-pyridin-1-ium-4-ylethyl)phosphane; 2,4,6-trinitrophenolate Traditional Name: benzene; diphenyl(2-pyridin-1-ium-4-ylethyl)phosphine; picrate Formula: C31H27N4O7P MolecularWeight: 598.542441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC=C1.C1=CC=C(C=C1)P(CCC2=CC=[NH+]C=C2)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=CC=C1.C1=CC=C(C=C1)P(CCC2=CC=[NH+]C=C2)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18NP.C6H3N3O7.C6H6/c1-3-7-18(8-4-1)21(19-9-5-2-6-10-19)16-13-17-11-14-20-15-12-17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-2-4-6-5-3-1/h1-12,14-15H,13,16H2;1-2,10H;1-6H