(2,5-ditert-butyl-4-dodecoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2,5-ditert-butyl-4-dodecoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2,5-ditert-butyl-4-dodecoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2,5-ditert-butyl-4-dodecoxyphenyl) [3-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2,5-ditert-butyl-4-dodecoxyphenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2,5-ditert-butyl-4-lauryloxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C42H59NO5P+ MolecularWeight: 688.895321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C(=C1)C(C)(C)C)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C(=C1)C(C)(C)C)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43)C(C)(C)C

InChI

InChI=1S/C42H58NO5P/c1-8-9-10-11-12-13-14-15-16-19-28-46-39-30-37(42(5,6)7)40(31-36(39)41(2,3)4)48-49(44,45)47-35-25-20-22-33(29-35)32-43-27-21-24-34-23-17-18-26-38(34)43/h17-18,20-27,29-31H,8-16,19,28,32H2,1-7H3/p+1