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

Systemtic Name: [3-(3-dodecoxyphenoxy)-2-methoxy-propyl] [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecoxyphenoxy)-2-methoxy-propyl] [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecoxyphenoxy)-2-methoxypropyl] [2-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecoxyphenoxy)-2-methoxypropyl] [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [3-(3-lauryloxyphenoxy)-2-methoxy-propyl] [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C32H47NO7PS+ MolecularWeight: 620.756841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC=C2C[N+]3=CSC=C3)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC=C2C[N+]3=CSC=C3)OC

InChI

InChI=1S/C32H46NO7PS/c1-3-4-5-6-7-8-9-10-11-14-21-37-29-17-15-18-30(23-29)38-25-31(36-2)26-39-41(34,35)40-32-19-13-12-16-28(32)24-33-20-22-42-27-33/h12-13,15-20,22-23,27,31H,3-11,14,21,24-26H2,1-2H3/p+1