(2-nitro-3-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-nitro-3-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-nitro-3-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-nitro-3-tetradecoxyphenyl) [2-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-nitro-3-tetradecoxyphenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-myristyloxy-2-nitro-phenyl) [2-(pyridin-1-ium-1-ylmethyl)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=C2C[N+]3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C32H43N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-18-26-39-30-22-19-23-31(32(30)34(35)36)41-42(37,38)40-29-21-15-14-20-28(29)27-33-24-16-13-17-25-33/h13-17,19-25H,2-12,18,26-27H2,1H3/p+1