5-(2,4-dimethylphenyl)sulfonylpentanoic acid

Systemtic Name: 5-(2,4-dimethylphenyl)sulfonylpentanoic acid Openeye Name: 5-(2,4-dimethylphenyl)sulfonylpentanoic acid CAS Name: 5-(2,4-dimethylphenyl)sulfonylpentanoic acid IUPAC Name: 5-(2,4-dimethylphenyl)sulfonylpentanoic acid Traditional Name: 5-(2,4-dimethylphenyl)sulfonylvaleric acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)CCCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)CCCCC(=O)O)C

InChI

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