[bis[4-(3-ethylhexan-3-yl)phenyl]amino]-(2,4,6-trinitrophenyl)azanide

Systemtic Name: [bis[4-(3-ethylhexan-3-yl)phenyl]amino]-(2,4,6-trinitrophenyl)azanide Openeye Name: [4-(1,1-diethylbutyl)-N-[4-(1,1-diethylbutyl)phenyl]anilino]-(2,4,6-trinitrophenyl)azanide CAS Name: [4-(3-ethylhexan-3-yl)-N-[4-(3-ethylhexan-3-yl)phenyl]anilino]-(2,4,6-trinitrophenyl)azanide IUPAC Name: [4-(3-ethylhexan-3-yl)-N-[4-(3-ethylhexan-3-yl)phenyl]anilino]-(2,4,6-trinitrophenyl)azanide Traditional Name: [4-(1,1-diethylbutyl)-N-[4-(1,1-diethylbutyl)phenyl]anilino]-picryl-azanide Formula: C34H44N5O6- MolecularWeight: 618.74306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)(CC)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(CC)(CC)CCC)[N-]C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC(CC)(CC)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(CC)(CC)CCC)[N-]C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C34H44N5O6/c1-7-21-33(9-3,10-4)25-13-17-27(18-14-25)36(28-19-15-26(16-20-28)34(11-5,12-6)22-8-2)35-32-30(38(42)43)23-29(37(40)41)24-31(32)39(44)45/h13-20,23-24H,7-12,21-22H2,1-6H3/q-1