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

Systemtic Name: (2,5-ditert-butyl-4-tetradecoxy-phenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2,5-ditert-butyl-4-tetradecoxy-phenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2,5-ditert-butyl-4-tetradecoxyphenyl) [3-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2,5-ditert-butyl-4-tetradecoxyphenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2,5-ditert-butyl-4-myristyloxy-phenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C40H61NO5P+ MolecularWeight: 666.889801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C(=C1)C(C)(C)C)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C(=C1)C(C)(C)C)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C40H60NO5P/c1-8-9-10-11-12-13-14-15-16-17-18-22-28-44-37-30-36(40(5,6)7)38(31-35(37)39(2,3)4)46-47(42,43)45-34-25-23-24-33(29-34)32-41-26-20-19-21-27-41/h19-21,23-27,29-31H,8-18,22,28,32H2,1-7H3/p+1