(2-bromanyl-4-methyl-phenyl) 3-methylquinoline-8-sulfonate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 3-methylquinoline-8-sulfonate Openeye Name: (2-bromo-4-methyl-phenyl) 3-methylquinoline-8-sulfonate CAS Name: 3-methyl-8-quinolinesulfonic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 3-methylquinoline-8-sulfonate Traditional Name: 3-methylquinoline-8-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=CC=CC3=CC(=CN=C32)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC3=CC(=CN=C32)C)Br

InChI

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