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

Systemtic Name: (2-dodecoxyphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2-dodecoxyphenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2-dodecoxyphenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2-dodecoxyphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (2-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=CC=C1OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C

InChI

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