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

Systemtic Name: [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-hexadecoxy-5-methyl-phenyl) hydrogen phosphate Openeye Name: [2-(3,5-dimethylthiazol-3-ium-2-yl)phenyl] (3-hexadecoxy-5-methyl-phenyl) hydrogen phosphate CAS Name: [2-(3,5-dimethyl-2-thiazol-3-iumyl)phenyl] (3-hexadecoxy-5-methylphenyl) hydrogen phosphate IUPAC Name: [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-hexadecoxy-5-methylphenyl) hydrogen phosphate Traditional Name: (3-cetyloxy-5-methyl-phenyl) [2-(3,5-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C34H51NO5PS+ MolecularWeight: 616.811201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H50NO5PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-38-30-24-28(2)25-31(26-30)39-41(36,37)40-33-22-19-18-21-32(33)34-35(4)27-29(3)42-34/h18-19,21-22,24-27H,5-17,20,23H2,1-4H3/p+1