(2,5-ditert-butyl-4-hexadecoxy-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (2,5-ditert-butyl-4-hexadecoxy-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2,5-ditert-butyl-4-hexadecoxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2,5-ditert-butyl-4-hexadecoxyphenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2,5-ditert-butyl-4-hexadecoxyphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (2,5-ditert-butyl-4-cetyloxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C40H63NO5PS+ MolecularWeight: 700.970681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C(=C1)C(C)(C)C)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C(=C1)C(C)(C)C)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)C(C)(C)C

InChI

InChI=1S/C40H62NO5PS/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-44-36-30-34(40(5,6)7)37(31-33(36)39(2,3)4)46-47(42,43)45-35-26-23-22-25-32(35)38-41(8)27-29-48-38/h22-23,25-27,29-31H,9-21,24,28H2,1-8H3/p+1