(2-nitro-4-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-nitro-4-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-nitro-4-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-nitro-4-tetradecoxyphenyl) [2-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-nitro-4-tetradecoxyphenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (4-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=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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