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

Systemtic Name: (3-hexadecoxy-2-propoxy-propyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-propoxy-propyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-propoxypropyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-propoxypropyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-propoxy-propyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C32H55NO6PS+ MolecularWeight: 612.820961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H54NO6PS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-36-27-32(37-22-4-2)28-38-40(34,35)39-31-20-18-19-30(25-31)26-33-21-24-41-29-33/h18-21,24-25,29,32H,3-17,22-23,26-28H2,1-2H3/p+1