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

Systemtic Name: (2,5-ditert-butyl-4-tetradecoxy-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2,5-ditert-butyl-4-tetradecoxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2,5-ditert-butyl-4-tetradecoxyphenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2,5-ditert-butyl-4-tetradecoxyphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (2,5-ditert-butyl-4-myristyloxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C38H59NO5PS+ MolecularWeight: 672.917521

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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

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

InChI

InChI=1S/C38H58NO5PS/c1-9-10-11-12-13-14-15-16-17-18-19-22-26-42-34-28-32(38(5,6)7)35(29-31(34)37(2,3)4)44-45(40,41)43-33-24-21-20-23-30(33)36-39(8)25-27-46-36/h20-21,23-25,27-29H,9-19,22,26H2,1-8H3/p+1