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

Systemtic Name: (2,5-ditert-butyl-4-hexadecoxy-phenyl) [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2,5-ditert-butyl-4-hexadecoxy-phenyl) [2-(3,5-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2,5-ditert-butyl-4-hexadecoxyphenyl) [2-(3,5-dimethyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2,5-ditert-butyl-4-hexadecoxyphenyl) [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (2,5-ditert-butyl-4-cetyloxy-phenyl) [2-(3,5-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C41H65NO5PS+ MolecularWeight: 714.997261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C(=C1)C(C)(C)C)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C(=C1)C(C)(C)C)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C)C(C)(C)C

InChI

InChI=1S/C41H64NO5PS/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-45-37-29-35(41(6,7)8)38(30-34(37)40(3,4)5)47-48(43,44)46-36-27-24-23-26-33(36)39-42(9)31-32(2)49-39/h23-24,26-27,29-31H,10-22,25,28H2,1-9H3/p+1