(3-dodecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-dodecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-dodecoxyphenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-dodecoxyphenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-dodecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-lauryloxyphenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C28H39NO5PS+ MolecularWeight: 532.651721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3

InChI

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