4-(6-chloranylhexyl)benzenesulfonic acid; sodium

Systemtic Name: 4-(6-chloranylhexyl)benzenesulfonic acid; sodium Openeye Name: 4-(6-chlorohexyl)benzenesulfonic acid; sodium CAS Name: 4-(6-chlorohexyl)benzenesulfonic acid; sodium IUPAC Name: 4-(6-chlorohexyl)benzenesulfonic acid; sodium Traditional Name: 4-(6-chlorohexyl)besylic acid; sodium Formula: C12H17ClNaO3S MolecularWeight: 299.76935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCCl)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=CC=C1CCCCCCCl)S(=O)(=O)O.[Na]

InChI

InChI=1S/C12H17ClO3S.Na/c13-10-4-2-1-3-5-11-6-8-12(9-7-11)17(14,15)16;/h6-9H,1-5,10H2,(H,14,15,16);