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

Systemtic Name: sodium 3-[1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yloxycarbonylamino]propyl sulfate Openeye Name: sodium 3-[[2-[(Z)-octadec-9-enoyl]oxy-1-[[(Z)-octadec-9-enoyl]oxymethyl]ethoxy]carbonylamino]propyl sulfate CAS Name: sodium 3-[[1,3-bis[(Z)-1-oxooctadec-9-enoxy]propan-2-yloxy-oxomethyl]amino]propyl sulfate IUPAC Name: sodium 3-[1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yloxycarbonylamino]propyl sulfate Traditional Name: sodium 3-[[2-[(Z)-octadec-9-enoyl]oxy-1-[[(Z)-octadec-9-enoyl]oxymethyl]ethoxy]carbonylamino]propyl sulfate Formula: C43H78NNaO10S MolecularWeight: 824.13489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H79NO10S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-41(45)51-38-40(54-43(47)44-36-33-37-53-55(48,49)50)39-52-42(46)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,40H,3-16,21-39H2,1-2H3,(H,44,47)(H,48,49,50);/q;+1/p-1/b19-17-,20-18-;