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

Systemtic Name: (3-dodecoxy-2-methyl-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-dodecoxy-2-methyl-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-dodecoxy-2-methylphenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-dodecoxy-2-methylphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-lauryloxy-2-methyl-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C29H41NO5PS+ MolecularWeight: 546.678301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40NO5PS/c1-4-5-6-7-8-9-10-11-12-15-22-33-26-19-16-20-27(24(26)2)34-36(31,32)35-28-18-14-13-17-25(28)29-30(3)21-23-37-29/h13-14,16-21,23H,4-12,15,22H2,1-3H3/p+1