2-methyl-2-[3-[2-[(E)-octadec-9-enoxy]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]propane-1-sulfonic acid

Systemtic Name: 2-methyl-2-[3-[2-[(E)-octadec-9-enoxy]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]propane-1-sulfonic acid Openeye Name: 2-methyl-2-[3-[2-[(E)-octadec-9-enoxy]-2-oxo-ethyl]sulfanylpropanoylamino]propane-1-sulfonic acid CAS Name: 2-methyl-2-[[3-[[2-[(E)-octadec-9-enoxy]-2-oxoethyl]thio]-1-oxopropyl]amino]-1-propanesulfonic acid IUPAC Name: 2-methyl-2-[3-[2-[(E)-octadec-9-enoxy]-2-oxoethyl]sulfanylpropanoylamino]propane-1-sulfonic acid Traditional Name: 2-[3-[[2-keto-2-[(E)-octadec-9-enoxy]ethyl]thio]propanoylamino]-2-methyl-propane-1-sulfonic acid Formula: C27H51NO6S2 MolecularWeight: 549.82694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CSCCC(=O)NC(C)(C)CS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CSCCC(=O)NC(C)(C)CS(=O)(=O)O

InChI

InChI=1S/C27H51NO6S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-34-26(30)23-35-22-20-25(29)28-27(2,3)24-36(31,32)33/h11-12H,4-10,13-24H2,1-3H3,(H,28,29)(H,31,32,33)/b12-11+