3-(2,5-dimethylphenyl)sulfonylpropanoate

Systemtic Name: 3-(2,5-dimethylphenyl)sulfonylpropanoate Openeye Name: 3-(2,5-dimethylphenyl)sulfonylpropanoate CAS Name: 3-(2,5-dimethylphenyl)sulfonylpropanoate IUPAC Name: 3-(2,5-dimethylphenyl)sulfonylpropanoate Traditional Name: 3-(2,5-dimethylphenyl)sulfonylpropionate Formula: C11H13O4S- MolecularWeight: 241.28352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-8-3-4-9(2)10(7-8)16(14,15)6-5-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)/p-1