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

Systemtic Name: (2-methoxy-3-tetradecoxy-propyl) [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-methoxy-3-tetradecoxy-propyl) [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-methoxy-3-tetradecoxypropyl) [2-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-3-tetradecoxypropyl) [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-methoxy-3-myristyloxy-propyl) [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C28H47NO6PS+ MolecularWeight: 556.714641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC=C1C[N+]2=CSC=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC=C1C[N+]2=CSC=C2)OC

InChI

InChI=1S/C28H46NO6PS/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-33-23-27(32-2)24-34-36(30,31)35-28-18-15-14-17-26(28)22-29-19-21-37-25-29/h14-15,17-19,21,25,27H,3-13,16,20,22-24H2,1-2H3/p+1