diheptadecyl 3-ethyl-2-heptadecyl-5H-1,3-oxazol-3-ium-4,4-dicarboxylate; ethyl sulfate

Systemtic Name: diheptadecyl 3-ethyl-2-heptadecyl-5H-1,3-oxazol-3-ium-4,4-dicarboxylate; ethyl sulfate Openeye Name: diheptadecyl 3-ethyl-2-heptadecyl-5H-oxazol-3-ium-4,4-dicarboxylate; ethyl sulfate CAS Name: 3-ethyl-2-heptadecyl-5H-oxazol-3-ium-4,4-dicarboxylic acid diheptadecyl ester; ethyl sulfate IUPAC Name: diheptadecyl 3-ethyl-2-heptadecyl-5H-1,3-oxazol-3-ium-4,4-dicarboxylate; ethyl sulfate Traditional Name: 3-ethyl-2-heptadecyl-2-oxazolin-3-ium-4,4-dicarboxylic acid diheptadecyl ester; ethyl sulfate Formula: C60H117NO9S MolecularWeight: 1028.63728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](C(CO1)(C(=O)OCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCC)CC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](C(CO1)(C(=O)OCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCC)CC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C58H112NO5.C2H6O4S/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-55-59(8-4)58(54-64-55,56(60)62-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)57(61)63-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3;1-2-6-7(3,4)5/h5-54H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1