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

Systemtic Name: (3-dodecoxy-2-nitro-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-dodecoxy-2-nitro-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-dodecoxy-2-nitrophenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-dodecoxy-2-nitrophenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-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=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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