sodium 4-(2,4,4-trimethylpentyl)benzenesulfonate

Systemtic Name: sodium 4-(2,4,4-trimethylpentyl)benzenesulfonate Openeye Name: sodium 4-(2,4,4-trimethylpentyl)benzenesulfonate CAS Name: sodium 4-(2,4,4-trimethylpentyl)benzenesulfonate IUPAC Name: sodium 4-(2,4,4-trimethylpentyl)benzenesulfonate Traditional Name: sodium 4-(2,4,4-trimethylpentyl)besylate Formula: C14H21NaO3S MolecularWeight: 292.36951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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