3-butan-2-ylsulfonyl-4-ethyl-benzoic acid

Systemtic Name: 3-butan-2-ylsulfonyl-4-ethyl-benzoic acid Openeye Name: 4-ethyl-3-sec-butylsulfonyl-benzoic acid CAS Name: 3-butan-2-ylsulfonyl-4-ethylbenzoic acid IUPAC Name: 3-butan-2-ylsulfonyl-4-ethylbenzoic acid Traditional Name: 4-ethyl-3-sec-butylsulfonyl-benzoic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C(C)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C(C)CC

InChI

InChI=1S/C13H18O4S/c1-4-9(3)18(16,17)12-8-11(13(14)15)7-6-10(12)5-2/h6-9H,4-5H2,1-3H3,(H,14,15)