(3-dodecoxy-2-nitro-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-dodecoxy-2-nitro-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-dodecoxy-2-nitro-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-dodecoxy-2-nitrophenyl) [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-dodecoxy-2-nitrophenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-lauryloxy-2-nitro-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C34H42N2O7P+ MolecularWeight: 621.680241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C34H41N2O7P/c1-2-3-4-5-6-7-8-9-10-15-26-41-32-23-16-24-33(34(32)36(37)38)43-44(39,40)42-31-22-14-12-19-29(31)27-35-25-17-20-28-18-11-13-21-30(28)35/h11-14,16-25H,2-10,15,26-27H2,1H3/p+1