[3-(3-dodecoxy-2-methyl-phenoxy)-2-propoxy-propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-propoxy-propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-propoxy-propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecoxy-2-methylphenoxy)-2-propoxypropyl] [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecoxy-2-methylphenoxy)-2-propoxypropyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [3-(3-lauryloxy-2-methyl-phenoxy)-2-propoxy-propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C35H53NO7PS+ MolecularWeight: 662.836581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H52NO7PS/c1-4-6-7-8-9-10-11-12-13-14-23-40-34-19-16-20-35(30(34)3)41-27-33(39-22-5-2)28-42-44(37,38)43-32-18-15-17-31(25-32)26-36-21-24-45-29-36/h15-21,24-25,29,33H,4-14,22-23,26-28H2,1-3H3/p+1