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

Systemtic Name: (4-hexadecoxy-2-nitro-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (4-hexadecoxy-2-nitro-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (4-hexadecoxy-2-nitrophenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (4-hexadecoxy-2-nitrophenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (4-cetyloxy-2-nitro-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C38H50N2O7P+ MolecularWeight: 677.786561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C38H49N2O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-45-32-26-28-38(36(30-32)40(41)42)47-48(43,44)46-37-24-19-17-22-33(37)35-27-25-31-21-16-18-23-34(31)39(35)2/h16-19,21-28,30H,3-15,20,29H2,1-2H3/p+1