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

Systemtic Name: [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-hexadecoxyphenyl) hydrogen phosphate Openeye Name: [2-(3,5-dimethylthiazol-3-ium-2-yl)phenyl] (3-hexadecoxyphenyl) hydrogen phosphate CAS Name: [2-(3,5-dimethyl-2-thiazol-3-iumyl)phenyl] (3-hexadecoxyphenyl) hydrogen phosphate IUPAC Name: [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-hexadecoxyphenyl) hydrogen phosphate Traditional Name: (3-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=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C

Isomeric SMILES

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

InChI

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