sodium [4-[1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yloxycarbonylamino]cyclohexyl] sulfate

Systemtic Name: sodium [4-[1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yloxycarbonylamino]cyclohexyl] sulfate Openeye Name: sodium [4-[[2-[(Z)-octadec-9-enoyl]oxy-1-[[(Z)-octadec-9-enoyl]oxymethyl]ethoxy]carbonylamino]cyclohexyl] sulfate CAS Name: sodium [4-[[1,3-bis[(Z)-1-oxooctadec-9-enoxy]propan-2-yloxy-oxomethyl]amino]cyclohexyl] sulfate IUPAC Name: sodium [4-[1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yloxycarbonylamino]cyclohexyl] sulfate Traditional Name: sodium [4-[[2-[(Z)-octadec-9-enoyl]oxy-1-[[(Z)-octadec-9-enoyl]oxymethyl]ethoxy]carbonylamino]cyclohexyl] sulfate Formula: C46H82NNaO10S MolecularWeight: 864.19875

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)NC1CCC(CC1)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)NC1CCC(CC1)OS(=O)(=O)[O-])COC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]

InChI

InChI=1S/C46H83NO10S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(48)54-39-43(56-46(50)47-41-35-37-42(38-36-41)57-58(51,52)53)40-55-45(49)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,41-43H,3-16,21-40H2,1-2H3,(H,47,50)(H,51,52,53);/q;+1/p-1/b19-17-,20-18-;