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

Systemtic Name: (2,5-ditert-butyl-4-tetradecoxy-phenyl) [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2,5-ditert-butyl-4-tetradecoxy-phenyl) [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2,5-ditert-butyl-4-tetradecoxyphenyl) [2-(3,4-dimethyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2,5-ditert-butyl-4-tetradecoxyphenyl) [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (2,5-ditert-butyl-4-myristyloxy-phenyl) [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C39H61NO5PS+ MolecularWeight: 686.944101

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

Isomeric SMILES

CCCCCCCCCCCCCCOC1=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/C39H60NO5PS/c1-10-11-12-13-14-15-16-17-18-19-20-23-26-43-35-27-33(39(6,7)8)36(28-32(35)38(3,4)5)45-46(41,42)44-34-25-22-21-24-31(34)37-40(9)30(2)29-47-37/h21-22,24-25,27-29H,10-20,23,26H2,1-9H3/p+1