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

Systemtic Name: [3-(3-dodecylphenoxy)-2-methoxy-propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecylphenoxy)-2-methoxy-propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecylphenoxy)-2-methoxypropyl] [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecylphenoxy)-2-methoxypropyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [3-(3-laurylphenoxy)-2-methoxy-propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C32H47NO6PS+ MolecularWeight: 604.757441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)OC

InChI

InChI=1S/C32H46NO6PS/c1-3-4-5-6-7-8-9-10-11-12-15-28-16-13-18-30(22-28)37-25-32(36-2)26-38-40(34,35)39-31-19-14-17-29(23-31)24-33-20-21-41-27-33/h13-14,16-23,27,32H,3-12,15,24-26H2,1-2H3/p+1