4-tert-butyl-2-ethoxycarbonyl-cyclohexene-1-sulfonic acid

Systemtic Name: 4-tert-butyl-2-ethoxycarbonyl-cyclohexene-1-sulfonic acid Openeye Name: 4-tert-butyl-2-ethoxycarbonyl-cyclohexene-1-sulfonic acid CAS Name: 4-tert-butyl-2-ethoxycarbonyl-1-cyclohexenesulfonic acid IUPAC Name: 4-tert-butyl-2-ethoxycarbonylcyclohexene-1-sulfonic acid Traditional Name: 4-tert-butyl-2-carbethoxy-cyclohexene-1-sulfonic acid Formula: C13H22O5S MolecularWeight: 290.37578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CCC(C1)C(C)(C)C)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=C(CCC(C1)C(C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C13H22O5S/c1-5-18-12(14)10-8-9(13(2,3)4)6-7-11(10)19(15,16)17/h9H,5-8H2,1-4H3,(H,15,16,17)