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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C(=C1)C(C)(C)C)OP(=O)(O)OC2=CC=C(C=C2)C[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=C(C=C2)C[N+]3=CC=CC4=CC=CC=C43)C(C)(C)C

InChI

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