5-butan-2-ylsulfonyl-2,3-dimethoxy-benzoic acid

Systemtic Name: 5-butan-2-ylsulfonyl-2,3-dimethoxy-benzoic acid Openeye Name: 2,3-dimethoxy-5-sec-butylsulfonyl-benzoic acid CAS Name: 5-butan-2-ylsulfonyl-2,3-dimethoxybenzoic acid IUPAC Name: 5-butan-2-ylsulfonyl-2,3-dimethoxybenzoic acid Traditional Name: 2,3-dimethoxy-5-sec-butylsulfonyl-benzoic acid Formula: C13H18O6S MolecularWeight: 302.34342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)C1=CC(=C(C(=C1)C(=O)O)OC)OC

Isomeric SMILES

CCC(C)S(=O)(=O)C1=CC(=C(C(=C1)C(=O)O)OC)OC

InChI

InChI=1S/C13H18O6S/c1-5-8(2)20(16,17)9-6-10(13(14)15)12(19-4)11(7-9)18-3/h6-8H,5H2,1-4H3,(H,14,15)