2-[2,3-bis(2-sulfanylhexadecanoyloxy)propoxy-oxidanyl-phosphoryl]ethyl-trimethyl-azanium

Systemtic Name: 2-[2,3-bis(2-sulfanylhexadecanoyloxy)propoxy-oxidanyl-phosphoryl]ethyl-trimethyl-azanium Openeye Name: 2-[2,3-bis(2-sulfanylhexadecanoyloxy)propoxy-hydroxy-phosphoryl]ethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis(2-mercapto-1-oxohexadecoxy)propoxy-hydroxyphosphoryl]ethyl-trimethylammonium IUPAC Name: 2-[2,3-bis(2-sulfanylhexadecanoyloxy)propoxy-hydroxyphosphoryl]ethyl-trimethylazanium Traditional Name: 2-[2,3-bis(2-mercaptohexadecanoyloxy)propoxy-hydroxy-phosphoryl]ethyl-trimethyl-ammonium Formula: C40H81NO7PS2+ MolecularWeight: 783.177401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(=O)OCC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)C(CCCCCCCCCCCCCC)S)S

Isomeric SMILES

CCCCCCCCCCCCCCC(C(=O)OCC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)C(CCCCCCCCCCCCCC)S)S

InChI

InChI=1S/C40H80NO7PS2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-37(50)39(42)46-34-36(35-47-49(44,45)33-32-41(3,4)5)48-40(43)38(51)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36-38H,6-35H2,1-5H3,(H2-,44,45,50,51)/p+1