2,3-bis[(3-methyl-2-sulfanyl-pentadecanoyl)oxy]propoxy-[2-(trimethylazaniumyl)ethyl]phosphinate

Systemtic Name: 2,3-bis[(3-methyl-2-sulfanyl-pentadecanoyl)oxy]propoxy-[2-(trimethylazaniumyl)ethyl]phosphinate Openeye Name: 2,3-bis[(3-methyl-2-sulfanyl-pentadecanoyl)oxy]propoxy-[2-(trimethylammonio)ethyl]phosphinate CAS Name: 2,3-bis(2-mercapto-3-methyl-1-oxopentadecoxy)propoxy-[2-(trimethylammonio)ethyl]phosphinate IUPAC Name: 2,3-bis[(3-methyl-2-sulfanylpentadecanoyl)oxy]propoxy-[2-(trimethylazaniumyl)ethyl]phosphinate Traditional Name: 2,3-bis[(2-mercapto-3-methyl-pentadecanoyl)oxy]propoxy-[2-(trimethylammonio)ethyl]phosphinate Formula: C40H80NO7PS2 MolecularWeight: 782.169461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)C(C(=O)OCC(COP(=O)(CC[N+](C)(C)C)[O-])OC(=O)C(C(C)CCCCCCCCCCCC)S)S

Isomeric SMILES

CCCCCCCCCCCCC(C)C(C(=O)OCC(COP(=O)(CC[N+](C)(C)C)[O-])OC(=O)C(C(C)CCCCCCCCCCCC)S)S

InChI

InChI=1S/C40H80NO7PS2/c1-8-10-12-14-16-18-20-22-24-26-28-34(3)37(50)39(42)46-32-36(33-47-49(44,45)31-30-41(5,6)7)48-40(43)38(51)35(4)29-27-25-23-21-19-17-15-13-11-9-2/h34-38H,8-33H2,1-7H3,(H2-,44,45,50,51)