[2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (2-hexadecoxyphenyl) hydrogen phosphate

Systemtic Name: [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (2-hexadecoxyphenyl) hydrogen phosphate Openeye Name: [2-(3,5-dimethylthiazol-3-ium-2-yl)phenyl] (2-hexadecoxyphenyl) hydrogen phosphate CAS Name: [2-(3,5-dimethyl-2-thiazol-3-iumyl)phenyl] (2-hexadecoxyphenyl) hydrogen phosphate IUPAC Name: [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (2-hexadecoxyphenyl) hydrogen phosphate Traditional Name: (2-cetyloxyphenyl) [2-(3,5-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C33H49NO5PS+ MolecularWeight: 602.784621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C

InChI

InChI=1S/C33H48NO5PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-37-31-24-19-20-25-32(31)39-40(35,36)38-30-23-18-17-22-29(30)33-34(3)27-28(2)41-33/h17-20,22-25,27H,4-16,21,26H2,1-3H3/p+1