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

Systemtic Name: (2,5-ditert-butyl-4-dodecoxy-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2,5-ditert-butyl-4-dodecoxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2,5-ditert-butyl-4-dodecoxyphenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2,5-ditert-butyl-4-dodecoxyphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (2,5-ditert-butyl-4-lauryloxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C36H55NO5PS+ MolecularWeight: 644.864361

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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=C2C3=[N+](C=CS3)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=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/C36H54NO5PS/c1-9-10-11-12-13-14-15-16-17-20-24-40-32-26-30(36(5,6)7)33(27-29(32)35(2,3)4)42-43(38,39)41-31-22-19-18-21-28(31)34-37(8)23-25-44-34/h18-19,21-23,25-27H,9-17,20,24H2,1-8H3/p+1