4-(5,5-dimethylhexan-2-yl)benzenesulfonate

Systemtic Name: 4-(5,5-dimethylhexan-2-yl)benzenesulfonate Openeye Name: 4-(1,4,4-trimethylpentyl)benzenesulfonate CAS Name: 4-(5,5-dimethylhexan-2-yl)benzenesulfonate IUPAC Name: 4-(5,5-dimethylhexan-2-yl)benzenesulfonate Traditional Name: 4-(1,4,4-trimethylpentyl)besylate Formula: C14H21O3S- MolecularWeight: 269.37974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O3S/c1-11(9-10-14(2,3)4)12-5-7-13(8-6-12)18(15,16)17/h5-8,11H,9-10H2,1-4H3,(H,15,16,17)/p-1