[2-(1-methylpyridin-1-ium-2-yl)phenyl] (2-nitro-4-tetradecoxy-phenyl) hydrogen phosphate

Systemtic Name: [2-(1-methylpyridin-1-ium-2-yl)phenyl] (2-nitro-4-tetradecoxy-phenyl) hydrogen phosphate Openeye Name: [2-(1-methylpyridin-1-ium-2-yl)phenyl] (2-nitro-4-tetradecoxy-phenyl) hydrogen phosphate CAS Name: [2-(1-methyl-2-pyridin-1-iumyl)phenyl] (2-nitro-4-tetradecoxyphenyl) hydrogen phosphate IUPAC Name: [2-(1-methylpyridin-1-ium-2-yl)phenyl] (2-nitro-4-tetradecoxyphenyl) hydrogen phosphate Traditional Name: [2-(1-methylpyridin-1-ium-2-yl)phenyl] (4-myristyloxy-2-nitro-phenyl) hydrogen phosphate Formula: C32H44N2O7P+ MolecularWeight: 599.674721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=CC=CC=[N+]3C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=CC=CC=[N+]3C)[N+](=O)[O-]

InChI

InChI=1S/C32H43N2O7P/c1-3-4-5-6-7-8-9-10-11-12-13-18-25-39-27-22-23-32(30(26-27)34(35)36)41-42(37,38)40-31-21-15-14-19-28(31)29-20-16-17-24-33(29)2/h14-17,19-24,26H,3-13,18,25H2,1-2H3/p+1