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

Systemtic Name: [3-hexadecoxy-2-(2-methylprop-2-enoxy)propyl] [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-hexadecoxy-2-(2-methylallyloxy)propyl] [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-hexadecoxy-2-(2-methylprop-2-enoxy)propyl] [2-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-hexadecoxy-2-(2-methylprop-2-enoxy)propyl] [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [3-cetyloxy-2-(2-methylallyloxy)propyl] [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C33H55NO6PS+ MolecularWeight: 624.831661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H54NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-37-27-32(38-26-30(2)3)28-39-41(35,36)40-33-21-18-17-20-31(33)25-34-22-24-42-29-34/h17-18,20-22,24,29,32H,2,4-16,19,23,25-28H2,1,3H3/p+1