2-methyl-2-[3-[2-[[(E)-octadec-9-enyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]propane-1-sulfonate

Systemtic Name: 2-methyl-2-[3-[2-[[(E)-octadec-9-enyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]propane-1-sulfonate Openeye Name: 2-methyl-2-[3-[2-[[(E)-octadec-9-enyl]amino]-2-oxo-ethyl]sulfanylpropanoylamino]propane-1-sulfonate CAS Name: 2-methyl-2-[[3-[[2-[[(E)-octadec-9-enyl]amino]-2-oxoethyl]thio]-1-oxopropyl]amino]-1-propanesulfonate IUPAC Name: 2-methyl-2-[3-[2-[[(E)-octadec-9-enyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propane-1-sulfonate Traditional Name: 2-[3-[[2-keto-2-[[(E)-octadec-9-enyl]amino]ethyl]thio]propanoylamino]-2-methyl-propane-1-sulfonate Formula: C27H51N2O5S2- MolecularWeight: 547.83424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC(=O)CSCCC(=O)NC(C)(C)CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC(=O)CSCCC(=O)NC(C)(C)CS(=O)(=O)[O-]

InChI

InChI=1S/C27H52N2O5S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28-26(31)23-35-22-20-25(30)29-27(2,3)24-36(32,33)34/h11-12H,4-10,13-24H2,1-3H3,(H,28,31)(H,29,30)(H,32,33,34)/p-1/b12-11+