2,2-dimethylpropyl 2-methyl-1-phenyl-propane-1-sulfonate

Systemtic Name: 2,2-dimethylpropyl 2-methyl-1-phenyl-propane-1-sulfonate Openeye Name: 2,2-dimethylpropyl 2-methyl-1-phenyl-propane-1-sulfonate CAS Name: 2-methyl-1-phenyl-1-propanesulfonic acid IUPAC Name: 2,2-dimethylpropyl 2-methyl-1-phenylpropane-1-sulfonate Traditional Name: 2-methyl-1-phenyl-propane-1-sulfonic acid neopentyl ester Formula: C15H24O3S MolecularWeight: 284.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)S(=O)(=O)OCC(C)(C)C

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)S(=O)(=O)OCC(C)(C)C

InChI

InChI=1S/C15H24O3S/c1-12(2)14(13-9-7-6-8-10-13)19(16,17)18-11-15(3,4)5/h6-10,12,14H,11H2,1-5H3