sodium 4-(2-methylpropyl)benzenesulfonate

Systemtic Name: sodium 4-(2-methylpropyl)benzenesulfonate Openeye Name: sodium 4-isobutylbenzenesulfonate CAS Name: sodium 4-(2-methylpropyl)benzenesulfonate IUPAC Name: sodium 4-(2-methylpropyl)benzenesulfonate Traditional Name: sodium 4-isobutylbesylate Formula: C10H13NaO3S MolecularWeight: 236.26319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O3S.Na/c1-8(2)7-9-3-5-10(6-4-9)14(11,12)13;/h3-6,8H,7H2,1-2H3,(H,11,12,13);/q;+1/p-1