3-butan-2-ylsulfonylbenzoic acid

Systemtic Name: 3-butan-2-ylsulfonylbenzoic acid Openeye Name: 3-sec-butylsulfonylbenzoic acid CAS Name: 3-butan-2-ylsulfonylbenzoic acid IUPAC Name: 3-butan-2-ylsulfonylbenzoic acid Traditional Name: 3-sec-butylsulfonylbenzoic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-3-8(2)16(14,15)10-6-4-5-9(7-10)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)