sodium 6-[1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yloxycarbonylamino]hexyl sulfate

Systemtic Name: sodium 6-[1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yloxycarbonylamino]hexyl sulfate Openeye Name: sodium 6-[[2-[(Z)-octadec-9-enoyl]oxy-1-[[(Z)-octadec-9-enoyl]oxymethyl]ethoxy]carbonylamino]hexyl sulfate CAS Name: sodium 6-[[1,3-bis[(Z)-1-oxooctadec-9-enoxy]propan-2-yloxy-oxomethyl]amino]hexyl sulfate IUPAC Name: sodium 6-[1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yloxycarbonylamino]hexyl sulfate Traditional Name: sodium 6-[[2-[(Z)-octadec-9-enoyl]oxy-1-[[(Z)-octadec-9-enoyl]oxymethyl]ethoxy]carbonylamino]hexyl sulfate Formula: C46H84NNaO10S MolecularWeight: 866.21463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H85NO10S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-44(48)54-41-43(57-46(50)47-39-35-31-32-36-40-56-58(51,52)53)42-55-45(49)38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,43H,3-16,21-42H2,1-2H3,(H,47,50)(H,51,52,53);/q;+1/p-1/b19-17-,20-18-;