(2,5-ditert-butyl-4-hexadecoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (2,5-ditert-butyl-4-hexadecoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2,5-ditert-butyl-4-hexadecoxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2,5-ditert-butyl-4-hexadecoxyphenyl) [2-(1-methyl-2-quinolin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2,5-ditert-butyl-4-hexadecoxyphenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (2,5-ditert-butyl-4-cetyloxy-phenyl) [2-(1-methylquinolin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C46H67NO5P+ MolecularWeight: 745.001641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H66NO5P/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33-50-43-34-39(46(5,6)7)44(35-38(43)45(2,3)4)52-53(48,49)51-42-30-25-23-28-37(42)41-32-31-36-27-22-24-29-40(36)47(41)8/h22-25,27-32,34-35H,9-21,26,33H2,1-8H3/p+1