6-(5,5-diethyl-7-oxidanyl-heptoxy)-3-ethyl-heptane-2-sulfonic acid

Systemtic Name: 6-(5,5-diethyl-7-oxidanyl-heptoxy)-3-ethyl-heptane-2-sulfonic acid Openeye Name: 6-(5,5-diethyl-7-hydroxy-heptoxy)-3-ethyl-heptane-2-sulfonic acid CAS Name: 6-(5,5-diethyl-7-hydroxyheptoxy)-3-ethyl-2-heptanesulfonic acid IUPAC Name: 6-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-2-sulfonic acid Traditional Name: 6-(5,5-diethyl-7-hydroxy-heptoxy)-3-ethyl-heptane-2-sulfonic acid Formula: C20H42O5S MolecularWeight: 394.60948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)OCCCCC(CC)(CC)CCO)C(C)S(=O)(=O)O

Isomeric SMILES

CCC(CCC(C)OCCCCC(CC)(CC)CCO)C(C)S(=O)(=O)O

InChI

InChI=1S/C20H42O5S/c1-6-19(18(5)26(22,23)24)12-11-17(4)25-16-10-9-13-20(7-2,8-3)14-15-21/h17-19,21H,6-16H2,1-5H3,(H,22,23,24)