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

Systemtic Name: (2,5-ditert-butyl-4-dodecoxy-phenyl) [2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Openeye Name: (2,5-ditert-butyl-4-dodecoxy-phenyl) [2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate CAS Name: (2,5-ditert-butyl-4-dodecoxyphenyl) [2-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] hydrogen phosphate IUPAC Name: (2,5-ditert-butyl-4-dodecoxyphenyl) [2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Traditional Name: (2,5-ditert-butyl-4-lauryloxy-phenyl) [2-[(5-methylthiazol-3-ium-3-yl)methyl]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=C2C[N+]3=CSC(=C3)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C(=C1)C(C)(C)C)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CSC(=C3)C)C(C)(C)C

InChI

InChI=1S/C37H56NO5PS/c1-9-10-11-12-13-14-15-16-17-20-23-41-34-24-32(37(6,7)8)35(25-31(34)36(3,4)5)43-44(39,40)42-33-22-19-18-21-30(33)27-38-26-29(2)45-28-38/h18-19,21-22,24-26,28H,9-17,20,23,27H2,1-8H3/p+1