(3-iodanylphenyl) 8-methylquinoline-5-sulfonate

Systemtic Name: (3-iodanylphenyl) 8-methylquinoline-5-sulfonate Openeye Name: (3-iodophenyl) 8-methylquinoline-5-sulfonate CAS Name: 8-methyl-5-quinolinesulfonic acid (3-iodophenyl) ester IUPAC Name: (3-iodophenyl) 8-methylquinoline-5-sulfonate Traditional Name: 8-methylquinoline-5-sulfonic acid (3-iodophenyl) ester Formula: C16H12INO3S MolecularWeight: 425.24085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)S(=O)(=O)OC3=CC(=CC=C3)I)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)S(=O)(=O)OC3=CC(=CC=C3)I)C=CC=N2

InChI

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