4-(2,4,4-trimethylpentan-2-yl)benzenesulfonate

Systemtic Name: 4-(2,4,4-trimethylpentan-2-yl)benzenesulfonate Openeye Name: 4-(1,1,3,3-tetramethylbutyl)benzenesulfonate CAS Name: 4-(2,4,4-trimethylpentan-2-yl)benzenesulfonate IUPAC Name: 4-(2,4,4-trimethylpentan-2-yl)benzenesulfonate Traditional Name: 4-(1,1,3,3-tetramethylbutyl)besylate Formula: C14H21O3S- MolecularWeight: 269.37974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O3S/c1-13(2,3)10-14(4,5)11-6-8-12(9-7-11)18(15,16)17/h6-9H,10H2,1-5H3,(H,15,16,17)/p-1