(Z)-1-(2-methylbutoxy)-1-oxidanylidene-octadec-9-ene-9-sulfonic acid

Systemtic Name: (Z)-1-(2-methylbutoxy)-1-oxidanylidene-octadec-9-ene-9-sulfonic acid Openeye Name: (Z)-1-(2-methylbutoxy)-1-oxo-octadec-9-ene-9-sulfonic acid CAS Name: (Z)-1-(2-methylbutoxy)-1-oxo-9-octadecene-9-sulfonic acid IUPAC Name: (Z)-1-(2-methylbutoxy)-1-oxooctadec-9-ene-9-sulfonic acid Traditional Name: (Z)-1-keto-1-(2-methylbutoxy)octadec-9-ene-9-sulfonic acid Formula: C23H44O5S MolecularWeight: 432.65746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=C(CCCCCCCC(=O)OCC(C)CC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C(/CCCCCCCC(=O)OCC(C)CC)\S(=O)(=O)O

InChI

InChI=1S/C23H44O5S/c1-4-6-7-8-9-11-14-17-22(29(25,26)27)18-15-12-10-13-16-19-23(24)28-20-21(3)5-2/h17,21H,4-16,18-20H2,1-3H3,(H,25,26,27)/b22-17-