[2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-dodecoxy-5-methyl-phenyl) hydrogen phosphate

Systemtic Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-dodecoxy-5-methyl-phenyl) hydrogen phosphate Openeye Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (3-dodecoxy-5-methyl-phenyl) hydrogen phosphate CAS Name: [2-(3,4-dimethyl-2-thiazol-3-iumyl)phenyl] (3-dodecoxy-5-methylphenyl) hydrogen phosphate IUPAC Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-dodecoxy-5-methylphenyl) hydrogen phosphate Traditional Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (3-lauryloxy-5-methyl-phenyl) hydrogen phosphate Formula: C30H43NO5PS+ MolecularWeight: 560.704881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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