sodium 3,5-dihexylbenzenesulfonate

Systemtic Name: sodium 3,5-dihexylbenzenesulfonate Openeye Name: sodium 3,5-dihexylbenzenesulfonate CAS Name: sodium 3,5-dihexylbenzenesulfonate IUPAC Name: sodium 3,5-dihexylbenzenesulfonate Traditional Name: sodium 3,5-dihexylbesylate Formula: C18H29NaO3S MolecularWeight: 348.47583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC(=C1)S(=O)(=O)[O-])CCCCCC.[Na+]

Isomeric SMILES

CCCCCCC1=CC(=CC(=C1)S(=O)(=O)[O-])CCCCCC.[Na+]

InChI

InChI=1S/C18H30O3S.Na/c1-3-5-7-9-11-16-13-17(12-10-8-6-4-2)15-18(14-16)22(19,20)21;/h13-15H,3-12H2,1-2H3,(H,19,20,21);/q;+1/p-1