methyl 2,5-dimethylbenzenesulfonate

Systemtic Name: methyl 2,5-dimethylbenzenesulfonate Openeye Name: methyl 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid methyl ester IUPAC Name: methyl 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid methyl ester Formula: C9H12O3S MolecularWeight: 200.25478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S/c1-7-4-5-8(2)9(6-7)13(10,11)12-3/h4-6H,1-3H3