(4-dodecoxyphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (4-dodecoxyphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (4-dodecoxyphenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (4-dodecoxyphenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (4-dodecoxyphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (4-lauryloxyphenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C28H39NO5PS+ MolecularWeight: 532.651721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C

InChI

InChI=1S/C28H38NO5PS/c1-3-4-5-6-7-8-9-10-11-14-22-32-24-17-19-25(20-18-24)33-35(30,31)34-27-16-13-12-15-26(27)28-29(2)21-23-36-28/h12-13,15-21,23H,3-11,14,22H2,1-2H3/p+1