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

Systemtic Name: [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-hexadecoxy-2-methoxy-phenyl) hydrogen phosphate Openeye Name: [2-(3,5-dimethylthiazol-3-ium-2-yl)phenyl] (3-hexadecoxy-2-methoxy-phenyl) hydrogen phosphate CAS Name: [2-(3,5-dimethyl-2-thiazol-3-iumyl)phenyl] (3-hexadecoxy-2-methoxyphenyl) hydrogen phosphate IUPAC Name: [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-hexadecoxy-2-methoxyphenyl) hydrogen phosphate Traditional Name: (3-cetyloxy-2-methoxy-phenyl) [2-(3,5-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C34H51NO6PS+ MolecularWeight: 632.810601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H50NO6PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-39-31-24-21-25-32(33(31)38-4)41-42(36,37)40-30-23-19-18-22-29(30)34-35(3)27-28(2)43-34/h18-19,21-25,27H,5-17,20,26H2,1-4H3/p+1