(3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-3-[2-(diethylamino)-2-oxidanylidene-ethoxy]-4-ethylsulfonyl-benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-3-[2-(diethylamino)-2-oxidanylidene-ethoxy]-4-ethylsulfonyl-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-chloro-3-[2-(diethylamino)-2-oxo-ethoxy]-4-ethylsulfonyl-benzoate CAS Name: 2-chloro-3-[2-(diethylamino)-2-oxoethoxy]-4-ethylsulfonylbenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-3-[2-(diethylamino)-2-oxoethoxy]-4-ethylsulfonylbenzoate Traditional Name: 2-chloro-3-[2-(diethylamino)-2-keto-ethoxy]-4-esyl-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C21H26ClNO7S MolecularWeight: 471.95164

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1=C(C=CC(=C1Cl)C(=O)OC2=CC(=O)CCC2)S(=O)(=O)CC

Isomeric SMILES

CCN(CC)C(=O)COC1=C(C=CC(=C1Cl)C(=O)OC2=CC(=O)CCC2)S(=O)(=O)CC

InChI

InChI=1S/C21H26ClNO7S/c1-4-23(5-2)18(25)13-29-20-17(31(27,28)6-3)11-10-16(19(20)22)21(26)30-15-9-7-8-14(24)12-15/h10-12H,4-9,13H2,1-3H3