quinolin-8-yl 5-iodanyl-2-methyl-benzenesulfonate

Systemtic Name: quinolin-8-yl 5-iodanyl-2-methyl-benzenesulfonate Openeye Name: 8-quinolyl 5-iodo-2-methyl-benzenesulfonate CAS Name: 5-iodo-2-methylbenzenesulfonic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 5-iodo-2-methylbenzenesulfonate Traditional Name: 5-iodo-2-methyl-benzenesulfonic acid 8-quinolyl ester Formula: C16H12INO3S MolecularWeight: 425.24085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)I)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)I)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C16H12INO3S/c1-11-7-8-13(17)10-15(11)22(19,20)21-14-6-2-4-12-5-3-9-18-16(12)14/h2-10H,1H3