butyl 3,4-dimethylbenzenesulfonate

Systemtic Name: butyl 3,4-dimethylbenzenesulfonate Openeye Name: butyl 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid butyl ester IUPAC Name: butyl 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid butyl ester Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOS(=O)(=O)C1=CC(=C(C=C1)C)C

Isomeric SMILES

CCCCOS(=O)(=O)C1=CC(=C(C=C1)C)C

InChI

InChI=1S/C12H18O3S/c1-4-5-8-15-16(13,14)12-7-6-10(2)11(3)9-12/h6-7,9H,4-5,8H2,1-3H3