(4-dodecoxy-2-nitro-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (4-dodecoxy-2-nitro-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (4-dodecoxy-2-nitro-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (4-dodecoxy-2-nitrophenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (4-dodecoxy-2-nitrophenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (4-lauryloxy-2-nitro-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C34H42N2O7P+ MolecularWeight: 621.680241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C34H41N2O7P/c1-3-4-5-6-7-8-9-10-11-16-25-41-28-22-24-34(32(26-28)36(37)38)43-44(39,40)42-33-20-15-13-18-29(33)31-23-21-27-17-12-14-19-30(27)35(31)2/h12-15,17-24,26H,3-11,16,25H2,1-2H3/p+1