sodium 2-(2-methylundecan-2-yl)benzenesulfonate

Systemtic Name: sodium 2-(2-methylundecan-2-yl)benzenesulfonate Openeye Name: sodium 2-(1,1-dimethyldecyl)benzenesulfonate CAS Name: sodium 2-(2-methylundecan-2-yl)benzenesulfonate IUPAC Name: sodium 2-(2-methylundecan-2-yl)benzenesulfonate Traditional Name: sodium 2-(1,1-dimethyldecyl)besylate Formula: C18H29NaO3S MolecularWeight: 348.47583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C)C1=CC=CC=C1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC(C)(C)C1=CC=CC=C1S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H30O3S.Na/c1-4-5-6-7-8-9-12-15-18(2,3)16-13-10-11-14-17(16)22(19,20)21;/h10-11,13-14H,4-9,12,15H2,1-3H3,(H,19,20,21);/q;+1/p-1