2-[2,3-bis[12-[5-(1,2-dithiolan-4-yl)pentanoyloxy]dodecanoyloxy]propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,3-bis[12-[5-(1,2-dithiolan-4-yl)pentanoyloxy]dodecanoyloxy]propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,3-bis[12-[5-(dithiolan-4-yl)pentanoyloxy]dodecanoyloxy]propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis[12-[5-(4-dithiolanyl)-1-oxopentoxy]-1-oxododecoxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,3-bis[12-[5-(dithiolan-4-yl)pentanoyloxy]dodecanoyloxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2,3-bis[12-[5-(dithiolan-4-yl)pentanoyloxy]dodecanoyloxy]propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C48H89NO12PS4+ MolecularWeight: 1031.453521

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOP(=O)(O)OCC(COC(=O)CCCCCCCCCCCOC(=O)CCCCC1CSSC1)OC(=O)CCCCCCCCCCCOC(=O)CCCCC2CSSC2

Isomeric SMILES

C[N+](C)(C)CCOP(=O)(O)OCC(COC(=O)CCCCCCCCCCCOC(=O)CCCCC1CSSC1)OC(=O)CCCCCCCCCCCOC(=O)CCCCC2CSSC2

InChI

InChI=1S/C48H88NO12PS4/c1-49(2,3)32-35-59-62(54,55)60-37-44(61-48(53)31-19-15-11-7-5-9-13-17-25-34-57-46(51)30-23-21-27-43-40-65-66-41-43)36-58-47(52)28-18-14-10-6-4-8-12-16-24-33-56-45(50)29-22-20-26-42-38-63-64-39-42/h42-44H,4-41H2,1-3H3/p+1