butyl 2-(1-iodanylhexadecyl)benzenesulfonate

Systemtic Name: butyl 2-(1-iodanylhexadecyl)benzenesulfonate Openeye Name: butyl 2-(1-iodohexadecyl)benzenesulfonate CAS Name: 2-(1-iodohexadecyl)benzenesulfonic acid butyl ester IUPAC Name: butyl 2-(1-iodohexadecyl)benzenesulfonate Traditional Name: 2-(1-iodohexadecyl)benzenesulfonic acid butyl ester Formula: C26H45IO3S MolecularWeight: 564.60317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45IO3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-25(27)24-20-18-19-22-26(24)31(28,29)30-23-6-4-2/h18-20,22,25H,3-17,21,23H2,1-2H3