[2-(1-methylpyridin-1-ium-2-yl)phenyl] (2-nitro-3-tetradecoxy-phenyl) hydrogen phosphate

Systemtic Name: [2-(1-methylpyridin-1-ium-2-yl)phenyl] (2-nitro-3-tetradecoxy-phenyl) hydrogen phosphate Openeye Name: [2-(1-methylpyridin-1-ium-2-yl)phenyl] (2-nitro-3-tetradecoxy-phenyl) hydrogen phosphate CAS Name: [2-(1-methyl-2-pyridin-1-iumyl)phenyl] (2-nitro-3-tetradecoxyphenyl) hydrogen phosphate IUPAC Name: [2-(1-methylpyridin-1-ium-2-yl)phenyl] (2-nitro-3-tetradecoxyphenyl) hydrogen phosphate Traditional Name: [2-(1-methylpyridin-1-ium-2-yl)phenyl] (3-myristyloxy-2-nitro-phenyl) hydrogen phosphate Formula: C32H44N2O7P+ MolecularWeight: 599.674721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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