3-(4-butan-2-ylsulfonylphenyl)propanoic acid

Systemtic Name: 3-(4-butan-2-ylsulfonylphenyl)propanoic acid Openeye Name: 3-(4-sec-butylsulfonylphenyl)propanoic acid CAS Name: 3-(4-butan-2-ylsulfonylphenyl)propanoic acid IUPAC Name: 3-(4-butan-2-ylsulfonylphenyl)propanoic acid Traditional Name: 3-(4-sec-butylsulfonylphenyl)propionic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-3-10(2)18(16,17)12-7-4-11(5-8-12)6-9-13(14)15/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,14,15)