2-(4-butan-2-ylsulfonylphenyl)ethanoic acid

Systemtic Name: 2-(4-butan-2-ylsulfonylphenyl)ethanoic acid Openeye Name: 2-(4-sec-butylsulfonylphenyl)acetic acid CAS Name: 2-(4-butan-2-ylsulfonylphenyl)acetic acid IUPAC Name: 2-(4-butan-2-ylsulfonylphenyl)acetic acid Traditional Name: 2-(4-sec-butylsulfonylphenyl)acetic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-3-9(2)17(15,16)11-6-4-10(5-7-11)8-12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14)