(2-ethoxy-3-hexadecoxy-propyl) [4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-ethoxy-3-hexadecoxy-propyl) [4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-ethoxy-3-hexadecoxy-propyl) [4-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-ethoxy-3-hexadecoxypropyl) [4-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-ethoxy-3-hexadecoxypropyl) [4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-ethoxy-propyl) [4-(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=C(C=C1)C[N+]2=CSC=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=C(C=C1)C[N+]2=CSC=C2)OCC

InChI

InChI=1S/C31H52NO6PS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-35-26-31(36-4-2)27-37-39(33,34)38-30-20-18-29(19-21-30)25-32-22-24-40-28-32/h18-22,24,28,31H,3-17,23,25-27H2,1-2H3/p+1