(3-hexadecoxyphenyl) [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxyphenyl) [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxyphenyl) [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxyphenyl) [2-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxyphenyl) [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxyphenyl) [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C32H47NO5PS+ MolecularWeight: 588.758041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CSC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CSC=C3

InChI

InChI=1S/C32H46NO5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-36-30-20-18-21-31(26-30)37-39(34,35)38-32-22-16-15-19-29(32)27-33-23-25-40-28-33/h15-16,18-23,25-26,28H,2-14,17,24,27H2,1H3/p+1