4-(7-chloranylheptyl)benzenesulfonic acid; sodium

Systemtic Name: 4-(7-chloranylheptyl)benzenesulfonic acid; sodium Openeye Name: 4-(7-chloroheptyl)benzenesulfonic acid; sodium CAS Name: 4-(7-chloroheptyl)benzenesulfonic acid; sodium IUPAC Name: 4-(7-chloroheptyl)benzenesulfonic acid; sodium Traditional Name: 4-(7-chloroheptyl)besylic acid; sodium Formula: C13H19ClNaO3S MolecularWeight: 313.79593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCCCl)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=CC=C1CCCCCCCCl)S(=O)(=O)O.[Na]

InChI

InChI=1S/C13H19ClO3S.Na/c14-11-5-3-1-2-4-6-12-7-9-13(10-8-12)18(15,16)17;/h7-10H,1-6,11H2,(H,15,16,17);