(2-ethoxy-3-hexadecoxy-propyl) [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-ethoxy-3-hexadecoxy-propyl) [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-ethoxy-3-hexadecoxy-propyl) [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-ethoxy-3-hexadecoxypropyl) [2-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-ethoxy-3-hexadecoxypropyl) [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-ethoxy-propyl) [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C31H53NO6PS+ MolecularWeight: 598.794381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC=C1C[N+]2=CSC=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC=C1C[N+]2=CSC=C2)OCC

InChI

InChI=1S/C31H52NO6PS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-23-35-26-30(36-4-2)27-37-39(33,34)38-31-21-18-17-20-29(31)25-32-22-24-40-28-32/h17-18,20-22,24,28,30H,3-16,19,23,25-27H2,1-2H3/p+1