1-tert-butyl-4-iodanyl-benzene; 2-dodecylbenzenesulfonate

Systemtic Name: 1-tert-butyl-4-iodanyl-benzene; 2-dodecylbenzenesulfonate Openeye Name: 1-tert-butyl-4-iodo-benzene; 2-dodecylbenzenesulfonate CAS Name: 1-tert-butyl-4-iodobenzene; 2-dodecylbenzenesulfonate IUPAC Name: 1-tert-butyl-4-iodobenzene; 2-dodecylbenzenesulfonate Traditional Name: 1-tert-butyl-4-iodo-benzene; 2-laurylbesylate Formula: C28H42IO3S- MolecularWeight: 585.60075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC(C)(C)C1=CC=C(C=C1)I

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC(C)(C)C1=CC=C(C=C1)I

InChI

InChI=1S/C18H30O3S.C10H13I/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-10(2,3)8-4-6-9(11)7-5-8/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);4-7H,1-3H3/p-1