4-(2,2-dimethylpropyl)benzenesulfonic acid

Systemtic Name: 4-(2,2-dimethylpropyl)benzenesulfonic acid Openeye Name: 4-(2,2-dimethylpropyl)benzenesulfonic acid CAS Name: 4-(2,2-dimethylpropyl)benzenesulfonic acid IUPAC Name: 4-(2,2-dimethylpropyl)benzenesulfonic acid Traditional Name: 4-neopentylbesylic acid Formula: C11H16O3S MolecularWeight: 228.30794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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