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

Systemtic Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-dodecoxy-2-methyl-phenyl) hydrogen phosphate Openeye Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (3-dodecoxy-2-methyl-phenyl) hydrogen phosphate CAS Name: [2-(3,4-dimethyl-2-thiazol-3-iumyl)phenyl] (3-dodecoxy-2-methylphenyl) hydrogen phosphate IUPAC Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-dodecoxy-2-methylphenyl) hydrogen phosphate Traditional Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (3-lauryloxy-2-methyl-phenyl) hydrogen phosphate Formula: C30H43NO5PS+ MolecularWeight: 560.704881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42NO5PS/c1-5-6-7-8-9-10-11-12-13-16-22-34-27-20-17-21-28(25(27)3)35-37(32,33)36-29-19-15-14-18-26(29)30-31(4)24(2)23-38-30/h14-15,17-21,23H,5-13,16,22H2,1-4H3/p+1