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

Systemtic Name: (2,5-ditert-butyl-4-hexadecoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2,5-ditert-butyl-4-hexadecoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2,5-ditert-butyl-4-hexadecoxyphenyl) [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2,5-ditert-butyl-4-hexadecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2,5-ditert-butyl-4-cetyloxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)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=C2C[N+]3=CC=CC4=CC=CC=C43)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C(=C1)C(C)(C)C)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43)C(C)(C)C

InChI

InChI=1S/C46H66NO5P/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-25-33-50-43-34-40(46(5,6)7)44(35-39(43)45(2,3)4)52-53(48,49)51-42-31-24-22-28-38(42)36-47-32-26-29-37-27-21-23-30-41(37)47/h21-24,26-32,34-35H,8-20,25,33,36H2,1-7H3/p+1