sodium; benzenesulfonate; octan-2-yl ethanoate

Systemtic Name: sodium; benzenesulfonate; octan-2-yl ethanoate Openeye Name: sodium; benzenesulfonate; 1-methylheptyl acetate CAS Name: sodium; acetic acid octan-2-yl ester; benzenesulfonate IUPAC Name: sodium; benzenesulfonate; octan-2-yl acetate Traditional Name: sodium acetic acid 1-methylheptyl ester besylate Formula: C16H25NaO5S MolecularWeight: 352.42147

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C.C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC(C)OC(=O)C.C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H20O2.C6H6O3S.Na/c1-4-5-6-7-8-9(2)12-10(3)11;7-10(8,9)6-4-2-1-3-5-6;/h9H,4-8H2,1-3H3;1-5H,(H,7,8,9);/q;;+1/p-1