N,N-dibutyl-4-[4-(dibutylamino)-3-nitro-phenyl]sulfonyl-2-nitro-aniline

Systemtic Name: N,N-dibutyl-4-[4-(dibutylamino)-3-nitro-phenyl]sulfonyl-2-nitro-aniline Openeye Name: N,N-dibutyl-4-[4-(dibutylamino)-3-nitro-phenyl]sulfonyl-2-nitro-aniline CAS Name: N,N-dibutyl-4-[4-(dibutylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline IUPAC Name: N,N-dibutyl-4-[4-(dibutylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline Traditional Name: dibutyl-[4-[4-(dibutylamino)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]amine Formula: C28H42N4O6S MolecularWeight: 562.72128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)N(CCCC)CCCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)C1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)N(CCCC)CCCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H42N4O6S/c1-5-9-17-29(18-10-6-2)25-15-13-23(21-27(25)31(33)34)39(37,38)24-14-16-26(28(22-24)32(35)36)30(19-11-7-3)20-12-8-4/h13-16,21-22H,5-12,17-20H2,1-4H3