5-(2,5-dimethylphenyl)sulfonylpentanoate

Systemtic Name: 5-(2,5-dimethylphenyl)sulfonylpentanoate Openeye Name: 5-(2,5-dimethylphenyl)sulfonylpentanoate CAS Name: 5-(2,5-dimethylphenyl)sulfonylpentanoate IUPAC Name: 5-(2,5-dimethylphenyl)sulfonylpentanoate Traditional Name: 5-(2,5-dimethylphenyl)sulfonylvalerate Formula: C13H17O4S- MolecularWeight: 269.33668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CCCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CCCCC(=O)[O-]

InChI

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