3-[[3-[4-(4-hexylphenyl)-2,6-dimethyl-pyridin-1-ium-1-yl]-5-nitro-2-oxidanyl-phenyl]hydrazinylidene]pentane-2,4-dione

Systemtic Name: 3-[[3-[4-(4-hexylphenyl)-2,6-dimethyl-pyridin-1-ium-1-yl]-5-nitro-2-oxidanyl-phenyl]hydrazinylidene]pentane-2,4-dione Openeye Name: 3-[[3-[4-(4-hexylphenyl)-2,6-dimethyl-pyridin-1-ium-1-yl]-2-hydroxy-5-nitro-phenyl]hydrazono]pentane-2,4-dione CAS Name: 3-[[3-[4-(4-hexylphenyl)-2,6-dimethyl-1-pyridin-1-iumyl]-2-hydroxy-5-nitrophenyl]hydrazinylidene]pentane-2,4-dione IUPAC Name: 3-[[3-[4-(4-hexylphenyl)-2,6-dimethylpyridin-1-ium-1-yl]-2-hydroxy-5-nitrophenyl]hydrazinylidene]pentane-2,4-dione Traditional Name: 3-[[3-[4-(4-hexylphenyl)-2,6-dimethyl-pyridin-1-ium-1-yl]-2-hydroxy-5-nitro-phenyl]hydrazono]pentane-2,4-dione Formula: C30H35N4O5+ MolecularWeight: 531.6227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C)C3=CC(=CC(=C3O)NN=C(C(=O)C)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C)C3=CC(=CC(=C3O)NN=C(C(=O)C)C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C30H34N4O5/c1-6-7-8-9-10-23-11-13-24(14-12-23)25-15-19(2)33(20(3)16-25)28-18-26(34(38)39)17-27(30(28)37)31-32-29(21(4)35)22(5)36/h11-18H,6-10H2,1-5H3,(H-,31,32,35,36,37)/p+1