[(2E)-2-[(4-butoxy-3-methoxy-phenyl)methylidene]-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid

Systemtic Name: [(2E)-2-[(4-butoxy-3-methoxy-phenyl)methylidene]-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid Openeye Name: [(3E)-3-[(4-butoxy-3-methoxy-phenyl)methylene]-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonic acid CAS Name: [(2E)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid IUPAC Name: [(2E)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid Traditional Name: [(3E)-3-(4-butoxy-3-methoxy-benzylidene)-2-keto-7,7-dimethyl-norbornan-1-yl]methanesulfonic acid Formula: C22H30O6S MolecularWeight: 422.535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)CS(=O)(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/2\C3CCC(C2=O)(C3(C)C)CS(=O)(=O)O)OC

InChI

InChI=1S/C22H30O6S/c1-5-6-11-28-18-8-7-15(13-19(18)27-4)12-16-17-9-10-22(20(16)23,21(17,2)3)14-29(24,25)26/h7-8,12-13,17H,5-6,9-11,14H2,1-4H3,(H,24,25,26)/b16-12+