(2-methylphenyl) 4-bromanylnaphthalene-1-sulfonate

Systemtic Name: (2-methylphenyl) 4-bromanylnaphthalene-1-sulfonate Openeye Name: o-tolyl 4-bromonaphthalene-1-sulfonate CAS Name: 4-bromo-1-naphthalenesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 4-bromonaphthalene-1-sulfonate Traditional Name: 4-bromonaphthalene-1-sulfonic acid o-tolyl ester Formula: C17H13BrO3S MolecularWeight: 377.25232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C3=CC=CC=C32)Br

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C3=CC=CC=C32)Br

InChI

InChI=1S/C17H13BrO3S/c1-12-6-2-5-9-16(12)21-22(19,20)17-11-10-15(18)13-7-3-4-8-14(13)17/h2-11H,1H3