[3-(4-dodecoxyphenoxy)-2-propoxy-propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: [3-(4-dodecoxyphenoxy)-2-propoxy-propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(4-dodecoxyphenoxy)-2-propoxy-propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(4-dodecoxyphenoxy)-2-propoxypropyl] [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(4-dodecoxyphenoxy)-2-propoxypropyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [3-(4-lauryloxyphenoxy)-2-propoxy-propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C34H51NO7PS+ MolecularWeight: 648.810001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)OCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)OCCC

InChI

InChI=1S/C34H50NO7PS/c1-3-5-6-7-8-9-10-11-12-13-23-39-31-17-19-32(20-18-31)40-27-34(38-22-4-2)28-41-43(36,37)42-33-16-14-15-30(25-33)26-35-21-24-44-29-35/h14-21,24-25,29,34H,3-13,22-23,26-28H2,1-2H3/p+1