(2,5-ditert-butyl-4-tetradecoxy-phenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (2,5-ditert-butyl-4-tetradecoxy-phenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2,5-ditert-butyl-4-tetradecoxy-phenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2,5-ditert-butyl-4-tetradecoxyphenyl) [2-(1-methyl-2-pyridin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2,5-ditert-butyl-4-tetradecoxyphenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (2,5-ditert-butyl-4-myristyloxy-phenyl) [2-(1-methylpyridin-1-ium-2-yl)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=C2C3=CC=CC=[N+]3C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C(=C1)C(C)(C)C)OP(=O)(O)OC2=CC=CC=C2C3=CC=CC=[N+]3C)C(C)(C)C

InChI

InChI=1S/C40H60NO5P/c1-9-10-11-12-13-14-15-16-17-18-19-24-29-44-37-30-34(40(5,6)7)38(31-33(37)39(2,3)4)46-47(42,43)45-36-27-21-20-25-32(36)35-26-22-23-28-41(35)8/h20-23,25-28,30-31H,9-19,24,29H2,1-8H3/p+1