(2-bromanyl-4-methyl-phenyl) 8-methylquinoline-5-sulfonate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 8-methylquinoline-5-sulfonate Openeye Name: (2-bromo-4-methyl-phenyl) 8-methylquinoline-5-sulfonate CAS Name: 8-methyl-5-quinolinesulfonic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 8-methylquinoline-5-sulfonate Traditional Name: 8-methylquinoline-5-sulfonic acid (2-bromo-4-methyl-phenyl) ester Formula: C17H14BrNO3S MolecularWeight: 392.26696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)C)Br

InChI

InChI=1S/C17H14BrNO3S/c1-11-5-7-15(14(18)10-11)22-23(20,21)16-8-6-12(2)17-13(16)4-3-9-19-17/h3-10H,1-2H3