1-(2-ethylhexoxy)-3-hexoxycarbonyl-1-oxidanylidene-pentane-3-sulfonic acid

Systemtic Name: 1-(2-ethylhexoxy)-3-hexoxycarbonyl-1-oxidanylidene-pentane-3-sulfonic acid Openeye Name: 1-(2-ethylhexoxy)-3-hexoxycarbonyl-1-oxo-pentane-3-sulfonic acid CAS Name: 1-(2-ethylhexoxy)-3-[hexoxy(oxo)methyl]-1-oxo-3-pentanesulfonic acid IUPAC Name: 1-(2-ethylhexoxy)-3-hexoxycarbonyl-1-oxopentane-3-sulfonic acid Traditional Name: 1-(2-ethylhexoxy)-3-hexoxycarbonyl-1-keto-pentane-3-sulfonic acid Formula: C20H38O7S MolecularWeight: 422.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC)(CC(=O)OCC(CC)CCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCOC(=O)C(CC)(CC(=O)OCC(CC)CCCC)S(=O)(=O)O

InChI

InChI=1S/C20H38O7S/c1-5-9-11-12-14-26-19(22)20(8-4,28(23,24)25)15-18(21)27-16-17(7-3)13-10-6-2/h17H,5-16H2,1-4H3,(H,23,24,25)