sulfo (E)-6-[6-methoxy-7-methyl-4-(2-morpholin-4-ylethyl)-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-eneperoxoate

Systemtic Name: sulfo (E)-6-[6-methoxy-7-methyl-4-(2-morpholin-4-ylethyl)-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-eneperoxoate Openeye Name: sulfo (E)-6-[6-methoxy-7-methyl-4-(2-morpholinoethyl)-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-hex-4-eneperoxoate CAS Name: (E)-6-[6-methoxy-7-methyl-4-[2-(4-morpholinyl)ethyl]-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-4-hexeneperoxoic acid sulfo ester IUPAC Name: sulfo (E)-6-[6-methoxy-7-methyl-4-(2-morpholin-4-ylethyl)-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-eneperoxoate Traditional Name: (E)-6-[3-keto-6-methoxy-7-methyl-4-(2-morpholinoethyl)phthalan-5-yl]-4-methyl-hex-4-eneperoxoic acid sulfo ester Formula: C23H31NO10S MolecularWeight: 513.55794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)CCN3CCOCC3)CC=C(C)CCC(=O)OOS(=O)(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)CCN3CCOCC3)C/C=C(\C)/CCC(=O)OOS(=O)(=O)O)OC

InChI

InChI=1S/C23H31NO10S/c1-15(5-7-20(25)33-34-35(27,28)29)4-6-18-17(8-9-24-10-12-31-13-11-24)21-19(14-32-23(21)26)16(2)22(18)30-3/h4H,5-14H2,1-3H3,(H,27,28,29)/b15-4+