butyl-[2-(butyl-methyl-phenyl-arsoniumyl)ethyl]-methyl-phenyl-arsanium; 2,4,6-trinitrophenolate

Systemtic Name: butyl-[2-(butyl-methyl-phenyl-arsoniumyl)ethyl]-methyl-phenyl-arsanium; 2,4,6-trinitrophenolate Openeye Name: butyl-[2-(butyl-methyl-phenyl-arsoniumyl)ethyl]-methyl-phenyl-arsonium; 2,4,6-trinitrophenolate CAS Name: butyl-[2-(butyl-methyl-phenylarsoniumyl)ethyl]-methyl-phenylarsonium; 2,4,6-trinitrophenolate IUPAC Name: butyl-[2-(butyl-methyl-phenylarsoniumyl)ethyl]-methyl-phenylarsanium; 2,4,6-trinitrophenolate Traditional Name: butyl-[2-(butyl-methyl-phenyl-arsoniumyl)ethyl]-methyl-phenyl-arsonium dipicrate Formula: C36H42As2N6O14 MolecularWeight: 932.59368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38As2.2C6H3N3O7/c1-5-7-19-25(3,23-15-11-9-12-16-23)21-22-26(4,20-8-6-2)24-17-13-10-14-18-24;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-18H,5-8,19-22H2,1-4H3;2*1-2,10H/q+2;;/p-2