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

Systemtic Name: [3-(3-dodecoxyphenoxy)-2-methoxy-propyl] [4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecoxyphenoxy)-2-methoxy-propyl] [4-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecoxyphenoxy)-2-methoxypropyl] [4-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecoxyphenoxy)-2-methoxypropyl] [4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [3-(3-lauryloxyphenoxy)-2-methoxy-propyl] [4-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C32H47NO7PS+ MolecularWeight: 620.756841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H46NO7PS/c1-3-4-5-6-7-8-9-10-11-12-21-37-30-14-13-15-31(23-30)38-25-32(36-2)26-39-41(34,35)40-29-18-16-28(17-19-29)24-33-20-22-42-27-33/h13-20,22-23,27,32H,3-12,21,24-26H2,1-2H3/p+1