2,3-bis(14-pyren-1-yltetradecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 2,3-bis(14-pyren-1-yltetradecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 2,3-bis(14-pyren-1-yltetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate CAS Name: 2,3-bis[1-oxo-14-(1-pyrenyl)tetradecoxy]propyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 2,3-bis(14-pyren-1-yltetradecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 2,3-bis(14-pyren-1-yltetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate Formula: C68H88NO8P MolecularWeight: 1078.401981

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)CCCCCCCCCCCCCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

Isomeric SMILES

C[N+](C)(C)CCOP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)CCCCCCCCCCCCCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

InChI

InChI=1S/C68H88NO8P/c1-69(2,3)48-49-75-78(72,73)76-51-60(77-64(71)35-25-21-17-13-9-5-7-11-15-19-23-29-53-37-39-59-43-41-55-31-27-33-57-45-47-62(53)68(59)66(55)57)50-74-63(70)34-24-20-16-12-8-4-6-10-14-18-22-28-52-36-38-58-42-40-54-30-26-32-56-44-46-61(52)67(58)65(54)56/h26-27,30-33,36-47,60H,4-25,28-29,34-35,48-51H2,1-3H3