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2,2-dimethylpropyl benzenesulfonate

2,2-dimethylpropyl benzenesulfonate

Systemtic Name:2,2-dimethylpropyl benzenesulfonate
Openeye Name:2,2-dimethylpropyl benzenesulfonate
CAS Name:benzenesulfonic acid 2,2-dimethylpropyl ester
IUPAC Name:2,2-dimethylpropyl benzenesulfonate
Traditional Name:benzenesulfonic acid neopentyl ester
Formula: C11H16O3S
MolecularWeight: 228.30794
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COS(=O)(=O)C1=CC=CC=C1


Isomeric SMILES

CC(C)(C)COS(=O)(=O)C1=CC=CC=C1


InChI

InChI=1S/C11H16O3S/c1-11(2,3)9-14-15(12,13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3


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