2-methyl-2-[3-[1-[(E)-octadec-9-enyl]peroxyethenylsulfanyl]propanoylamino]propane-1-sulfonate

Systemtic Name: 2-methyl-2-[3-[1-[(E)-octadec-9-enyl]peroxyethenylsulfanyl]propanoylamino]propane-1-sulfonate Openeye Name: 2-methyl-2-[3-[1-[(E)-octadec-9-enyl]peroxyvinylsulfanyl]propanoylamino]propane-1-sulfonate CAS Name: 2-methyl-2-[[3-[1-[(E)-octadec-9-enyl]dioxyethenylthio]-1-oxopropyl]amino]-1-propanesulfonate IUPAC Name: 2-methyl-2-[3-[1-[(E)-octadec-9-enyl]peroxyethenylsulfanyl]propanoylamino]propane-1-sulfonate Traditional Name: 2-methyl-2-[3-[1-[(E)-octadec-9-enyl]peroxyvinylthio]propanoylamino]propane-1-sulfonate Formula: C27H50NO6S2- MolecularWeight: 548.819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOOC(=C)SCCC(=O)NC(C)(C)CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOOC(=C)SCCC(=O)NC(C)(C)CS(=O)(=O)[O-]

InChI

InChI=1S/C27H51NO6S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-33-34-25(2)35-23-21-26(29)28-27(3,4)24-36(30,31)32/h12-13H,2,5-11,14-24H2,1,3-4H3,(H,28,29)(H,30,31,32)/p-1/b13-12+