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

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

Isomeric SMILES

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

InChI

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