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

Systemtic Name: (2,5-ditert-butyl-4-dodecoxy-phenyl) [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2,5-ditert-butyl-4-dodecoxy-phenyl) [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2,5-ditert-butyl-4-dodecoxyphenyl) [2-(3,4-dimethyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2,5-ditert-butyl-4-dodecoxyphenyl) [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (2,5-ditert-butyl-4-lauryloxy-phenyl) [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C37H57NO5PS+ MolecularWeight: 658.890941

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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)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)C

InChI

InChI=1S/C37H56NO5PS/c1-10-11-12-13-14-15-16-17-18-21-24-41-33-25-31(37(6,7)8)34(26-30(33)36(3,4)5)43-44(39,40)42-32-23-20-19-22-29(32)35-38(9)28(2)27-45-35/h19-20,22-23,25-27H,10-18,21,24H2,1-9H3/p+1