[3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl]sulfonylmethanesulfonic acid

Systemtic Name: [3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl]sulfonylmethanesulfonic acid Openeye Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl]sulfonylmethanesulfonic acid CAS Name: [2-(1,3-dioxobutoxy)-3-octadecoxypropyl]sulfonylmethanesulfonic acid IUPAC Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl]sulfonylmethanesulfonic acid Traditional Name: (2-acetoacetyloxy-3-stearyloxy-propyl)sulfonylmethanesulfonic acid Formula: C26H50O9S2 MolecularWeight: 570.7998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CS(=O)(=O)O)OC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CS(=O)(=O)O)OC(=O)CC(=O)C

InChI

InChI=1S/C26H50O9S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34-21-25(35-26(28)20-24(2)27)22-36(29,30)23-37(31,32)33/h25H,3-23H2,1-2H3,(H,31,32,33)