sodium 4-(2,2-dimethylpropyl)benzenesulfonate

Systemtic Name: sodium 4-(2,2-dimethylpropyl)benzenesulfonate Openeye Name: sodium 4-(2,2-dimethylpropyl)benzenesulfonate CAS Name: sodium 4-(2,2-dimethylpropyl)benzenesulfonate IUPAC Name: sodium 4-(2,2-dimethylpropyl)benzenesulfonate Traditional Name: sodium 4-neopentylbesylate Formula: C11H15NaO3S MolecularWeight: 250.28977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H16O3S.Na/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);/q;+1/p-1