4-octylbenzenesulfonic acid; sodium

Systemtic Name: 4-octylbenzenesulfonic acid; sodium Openeye Name: 4-octylbenzenesulfonic acid; sodium CAS Name: 4-octylbenzenesulfonic acid; sodium IUPAC Name: 4-octylbenzenesulfonic acid; sodium Traditional Name: 4-octylbesylic acid; sodium Formula: C14H22NaO3S MolecularWeight: 293.37745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.[Na]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.[Na]

InChI

InChI=1S/C14H22O3S.Na/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17;/h9-12H,2-8H2,1H3,(H,15,16,17);