(2-bromanyl-4-methyl-phenyl) 2,3-dihydro-1-benzofuran-5-sulfonate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 2,3-dihydro-1-benzofuran-5-sulfonate Openeye Name: (2-bromo-4-methyl-phenyl) 2,3-dihydrobenzofuran-5-sulfonate CAS Name: 2,3-dihydrobenzofuran-5-sulfonic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 2,3-dihydro-1-benzofuran-5-sulfonate Traditional Name: coumaran-5-sulfonic acid (2-bromo-4-methyl-phenyl) ester Formula: C15H13BrO4S MolecularWeight: 369.23032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCC3)Br

InChI

InChI=1S/C15H13BrO4S/c1-10-2-4-15(13(16)8-10)20-21(17,18)12-3-5-14-11(9-12)6-7-19-14/h2-5,8-9H,6-7H2,1H3