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4-ethyl-2,6-dimethyl-benzenesulfonate

4-ethyl-2,6-dimethyl-benzenesulfonate

Systemtic Name:4-ethyl-2,6-dimethyl-benzenesulfonate
Openeye Name:4-ethyl-2,6-dimethyl-benzenesulfonate
CAS Name:4-ethyl-2,6-dimethylbenzenesulfonate
IUPAC Name:4-ethyl-2,6-dimethylbenzenesulfonate
Traditional Name:4-ethyl-2,6-dimethyl-besylate
Formula: C10H13O3S-
MolecularWeight: 213.27342
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C


Isomeric SMILES

CCC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C


InChI

InChI=1S/C10H14O3S/c1-4-9-5-7(2)10(8(3)6-9)14(11,12)13/h5-6H,4H2,1-3H3,(H,11,12,13)/p-1


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