benzenesulfonate; butyl 2-(1-iodanyldodecyl)benzenesulfonate

Systemtic Name: benzenesulfonate; butyl 2-(1-iodanyldodecyl)benzenesulfonate Openeye Name: benzenesulfonate; butyl 2-(1-iodododecyl)benzenesulfonate CAS Name: benzenesulfonate; 2-(1-iodododecyl)benzenesulfonic acid butyl ester IUPAC Name: benzenesulfonate; butyl 2-(1-iodododecyl)benzenesulfonate Traditional Name: 2-(1-iodododecyl)benzenesulfonic acid butyl ester besylate Formula: C28H42IO6S2- MolecularWeight: 665.66395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)OCCCC)I.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)OCCCC)I.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H37IO3S.C6H6O3S/c1-3-5-7-8-9-10-11-12-13-17-21(23)20-16-14-15-18-22(20)27(24,25)26-19-6-4-2;7-10(8,9)6-4-2-1-3-5-6/h14-16,18,21H,3-13,17,19H2,1-2H3;1-5H,(H,7,8,9)/p-1