18-[4-(dihydroxyboranyl)phenyl]octadecyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 18-[4-(dihydroxyboranyl)phenyl]octadecyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 18-(4-boronophenyl)octadecyl 2-(trimethylammonio)ethyl phosphate CAS Name: 18-(4-boronophenyl)octadecyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 18-(4-boronophenyl)octadecyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 18-(4-boronophenyl)octadecyl 2-(trimethylammonio)ethyl phosphate Formula: C29H55BNO6P MolecularWeight: 555.534861

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C)(O)O

InChI

InChI=1S/C29H55BNO6P/c1-31(2,3)25-27-37-38(34,35)36-26-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-28-21-23-29(24-22-28)30(32)33/h21-24,32-33H,4-20,25-27H2,1-3H3