(2,5-dimethylphenyl) benzenesulfonate

Systemtic Name: (2,5-dimethylphenyl) benzenesulfonate Openeye Name: (2,5-dimethylphenyl) benzenesulfonate CAS Name: benzenesulfonic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (2,5-dimethylphenyl) ester Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H14O3S/c1-11-8-9-12(2)14(10-11)17-18(15,16)13-6-4-3-5-7-13/h3-10H,1-2H3