(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl ester IUPAC Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (5-ethoxy-2-methyl-coumaran-6-yl)methyl ester Formula: C20H22O6S MolecularWeight: 390.45008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H22O6S/c1-4-24-18-10-15-9-13(2)26-19(15)11-16(18)12-25-20(21)14-5-7-17(8-6-14)27(3,22)23/h5-8,10-11,13H,4,9,12H2,1-3H3