butyl 2-(1-iodanyldodecyl)benzenesulfonate

Systemtic Name: butyl 2-(1-iodanyldodecyl)benzenesulfonate Openeye Name: butyl 2-(1-iodododecyl)benzenesulfonate CAS Name: 2-(1-iodododecyl)benzenesulfonic acid butyl ester IUPAC Name: butyl 2-(1-iodododecyl)benzenesulfonate Traditional Name: 2-(1-iodododecyl)benzenesulfonic acid butyl ester Formula: C22H37IO3S MolecularWeight: 508.49685

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)OCCCC)I

Isomeric SMILES

CCCCCCCCCCCC(C1=CC=CC=C1S(=O)(=O)OCCCC)I

InChI

InChI=1S/C22H37IO3S/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/h14-16,18,21H,3-13,17,19H2,1-2H3