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

Systemtic Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-dodecoxyphenyl) hydrogen phosphate Openeye Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (3-dodecoxyphenyl) hydrogen phosphate CAS Name: [2-(3,4-dimethyl-2-thiazol-3-iumyl)phenyl] (3-dodecoxyphenyl) hydrogen phosphate IUPAC Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-dodecoxyphenyl) hydrogen phosphate Traditional Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (3-lauryloxyphenyl) hydrogen phosphate Formula: C29H41NO5PS+ MolecularWeight: 546.678301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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