[2,5-di(hexadecanoyloxy)-3-oxidanyl-hexan-3-yl]-methyl-azanium; ethyl sulfate

Systemtic Name: [2,5-di(hexadecanoyloxy)-3-oxidanyl-hexan-3-yl]-methyl-azanium; ethyl sulfate Openeye Name: ethyl sulfate; [3-hexadecanoyloxy-1-(1-hexadecanoyloxyethyl)-1-hydroxy-butyl]-methyl-ammonium CAS Name: ethyl sulfate; [3-hydroxy-2,5-bis(1-oxohexadecoxy)hexan-3-yl]-methylammonium IUPAC Name: [2,5-di(hexadecanoyloxy)-3-hydroxyhexan-3-yl]-methylazanium; ethyl sulfate Traditional Name: ethyl sulfate; [3-hexadecanoyloxy-1-(1-hexadecanoyloxyethyl)-1-hydroxy-butyl]-methyl-ammonium Formula: C41H83NO9S MolecularWeight: 766.16402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C)CC(C(C)OC(=O)CCCCCCCCCCCCCCC)([NH2+]C)O.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C)CC(C(C)OC(=O)CCCCCCCCCCCCCCC)([NH2+]C)O.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C39H77NO5.C2H6O4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(41)44-35(3)34-39(43,40-5)36(4)45-38(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-2-6-7(3,4)5/h35-36,40,43H,6-34H2,1-5H3;2H2,1H3,(H,3,4,5)