(3-oxidanylidenecyclohexen-1-yl) 2-(methoxymethyl)-7-methylsulfonyl-2,3-dihydro-1-benzofuran-4-carboxylate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-(methoxymethyl)-7-methylsulfonyl-2,3-dihydro-1-benzofuran-4-carboxylate Openeye Name: (3-oxocyclohexen-1-yl) 2-(methoxymethyl)-7-methylsulfonyl-2,3-dihydrobenzofuran-4-carboxylate CAS Name: 2-(methoxymethyl)-7-methylsulfonyl-2,3-dihydrobenzofuran-4-carboxylic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-(methoxymethyl)-7-methylsulfonyl-2,3-dihydro-1-benzofuran-4-carboxylate Traditional Name: 7-mesyl-2-(methoxymethyl)coumaran-4-carboxylic acid (3-ketocyclohexen-1-yl) ester Formula: C18H20O7S MolecularWeight: 380.4122

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CC2=C(C=CC(=C2O1)S(=O)(=O)C)C(=O)OC3=CC(=O)CCC3

Isomeric SMILES

COCC1CC2=C(C=CC(=C2O1)S(=O)(=O)C)C(=O)OC3=CC(=O)CCC3

InChI

InChI=1S/C18H20O7S/c1-23-10-13-9-15-14(6-7-16(17(15)24-13)26(2,21)22)18(20)25-12-5-3-4-11(19)8-12/h6-8,13H,3-5,9-10H2,1-2H3