[(2R)-2,3-bis(4-pyren-4-ylbutanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R)-2,3-bis(4-pyren-4-ylbutanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-2,3-bis(4-pyren-4-ylbutanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-2,3-bis[1-oxo-4-(4-pyrenyl)butoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-2,3-bis(4-pyren-4-ylbutanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-2,3-bis(4-pyren-4-ylbutanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C48H48NO8P MolecularWeight: 797.870381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOP(=O)([O-])OCC(COC(=O)CCCC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3)OC(=O)CCCC5=CC6=CC=CC7=C6C8=C(C=CC=C58)C=C7

Isomeric SMILES

C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](COC(=O)CCCC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3)OC(=O)CCCC5=CC6=CC=CC7=C6C8=C(C=CC=C58)C=C7

InChI

InChI=1S/C48H48NO8P/c1-49(2,3)26-27-55-58(52,53)56-31-40(57-44(51)21-9-15-37-29-39-17-5-11-33-23-25-35-13-7-19-42(37)48(35)46(33)39)30-54-43(50)20-8-14-36-28-38-16-4-10-32-22-24-34-12-6-18-41(36)47(34)45(32)38/h4-7,10-13,16-19,22-25,28-29,40H,8-9,14-15,20-21,26-27,30-31H2,1-3H3/t40-/m1/s1