sodium 2-[1,3-bis[[(E)-octadec-9-enoyl]oxy]propan-2-yloxycarbonylamino]ethyl sulfate

Systemtic Name: sodium 2-[1,3-bis[[(E)-octadec-9-enoyl]oxy]propan-2-yloxycarbonylamino]ethyl sulfate Openeye Name: sodium 2-[[2-[(E)-octadec-9-enoyl]oxy-1-[[(E)-octadec-9-enoyl]oxymethyl]ethoxy]carbonylamino]ethyl sulfate CAS Name: sodium 2-[[1,3-bis[(E)-1-oxooctadec-9-enoxy]propan-2-yloxy-oxomethyl]amino]ethyl sulfate IUPAC Name: sodium 2-[1,3-bis[[(E)-octadec-9-enoyl]oxy]propan-2-yloxycarbonylamino]ethyl sulfate Traditional Name: sodium 2-[[2-[(E)-octadec-9-enoyl]oxy-1-[[(E)-octadec-9-enoyl]oxymethyl]ethoxy]carbonylamino]ethyl sulfate Formula: C42H76NNaO10S MolecularWeight: 810.10831

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)NCCOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)NCCOS(=O)(=O)[O-])COC(=O)CCCCCCC/C=C/CCCCCCCC.[Na+]

InChI

InChI=1S/C42H77NO10S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-37-39(53-42(46)43-35-36-52-54(47,48)49)38-51-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,39H,3-16,21-38H2,1-2H3,(H,43,46)(H,47,48,49);/q;+1/p-1/b19-17+,20-18+;