2-[[(2R)-3-hexadecanoyloxy-2-[10-(4-methyl-2-oxidanylidene-chromen-7-yl)sulfanyldecanoyloxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-3-hexadecanoyloxy-2-[10-(4-methyl-2-oxidanylidene-chromen-7-yl)sulfanyldecanoyloxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-3-hexadecanoyloxy-2-[10-(4-methyl-2-oxo-chromen-7-yl)sulfanyldecanoyloxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-2-[10-[(4-methyl-2-oxo-1-benzopyran-7-yl)thio]-1-oxodecoxy]-3-(1-oxohexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-3-hexadecanoyloxy-2-[10-(4-methyl-2-oxochromen-7-yl)sulfanyldecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-3-hexadecanoyloxy-2-[10-[(2-keto-4-methyl-chromen-7-yl)thio]decanoyloxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H75NO10PS+ MolecularWeight: 841.105761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCSC1=CC2=C(C=C1)C(=CC(=O)O2)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCSC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C44H74NO10PS/c1-6-7-8-9-10-11-12-13-14-15-17-20-23-26-42(46)51-35-38(36-53-56(49,50)52-31-30-45(3,4)5)54-43(47)27-24-21-18-16-19-22-25-32-57-39-28-29-40-37(2)33-44(48)55-41(40)34-39/h28-29,33-34,38H,6-27,30-32,35-36H2,1-5H3/p+1/t38-/m1/s1