sodium 2-[4-(2-methylpropyl)phenyl]benzenesulfonate

Systemtic Name: sodium 2-[4-(2-methylpropyl)phenyl]benzenesulfonate Openeye Name: sodium 2-(4-isobutylphenyl)benzenesulfonate CAS Name: sodium 2-[4-(2-methylpropyl)phenyl]benzenesulfonate IUPAC Name: sodium 2-[4-(2-methylpropyl)phenyl]benzenesulfonate Traditional Name: sodium 2-(4-isobutylphenyl)besylate Formula: C16H17NaO3S MolecularWeight: 312.35915

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H18O3S.Na/c1-12(2)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)20(17,18)19;/h3-10,12H,11H2,1-2H3,(H,17,18,19);/q;+1/p-1