phenyl 2,5-dimethylbenzenesulfonate

Systemtic Name: phenyl 2,5-dimethylbenzenesulfonate Openeye Name: phenyl 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid phenyl ester Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2

InChI

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