(2,2-dimethyl-3H-1-benzofuran-7-yl) 5-bromanyl-2-ethoxy-benzenesulfonate

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 5-bromanyl-2-ethoxy-benzenesulfonate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) 5-bromo-2-ethoxy-benzenesulfonate CAS Name: 5-bromo-2-ethoxybenzenesulfonic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 5-bromo-2-ethoxybenzenesulfonate Traditional Name: 5-bromo-2-ethoxy-benzenesulfonic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C18H19BrO5S MolecularWeight: 427.30946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC=CC3=C2OC(C3)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC=CC3=C2OC(C3)(C)C

InChI

InChI=1S/C18H19BrO5S/c1-4-22-14-9-8-13(19)10-16(14)25(20,21)24-15-7-5-6-12-11-18(2,3)23-17(12)15/h5-10H,4,11H2,1-3H3