sodium 2,3-dibutylbenzenesulfonate

Systemtic Name: sodium 2,3-dibutylbenzenesulfonate Openeye Name: sodium 2,3-dibutylbenzenesulfonate CAS Name: sodium 2,3-dibutylbenzenesulfonate IUPAC Name: sodium 2,3-dibutylbenzenesulfonate Traditional Name: sodium 2,3-dibutylbesylate Formula: C14H21NaO3S MolecularWeight: 292.36951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCC.[Na+]

Isomeric SMILES

CCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCC.[Na+]

InChI

InChI=1S/C14H22O3S.Na/c1-3-5-8-12-9-7-11-14(18(15,16)17)13(12)10-6-4-2;/h7,9,11H,3-6,8,10H2,1-2H3,(H,15,16,17);/q;+1/p-1