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

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

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


InChI

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


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