butyl 2-(1-iodanyloctyl)benzenesulfonate

Systemtic Name: butyl 2-(1-iodanyloctyl)benzenesulfonate Openeye Name: butyl 2-(1-iodooctyl)benzenesulfonate CAS Name: 2-(1-iodooctyl)benzenesulfonic acid butyl ester IUPAC Name: butyl 2-(1-iodooctyl)benzenesulfonate Traditional Name: 2-(1-iodooctyl)benzenesulfonic acid butyl ester Formula: C18H29IO3S MolecularWeight: 452.39053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29IO3S/c1-3-5-7-8-9-13-17(19)16-12-10-11-14-18(16)23(20,21)22-15-6-4-2/h10-12,14,17H,3-9,13,15H2,1-2H3