3-[2-(2-acetyloxyphenyl)carbonyloxyethyl-methyl-sulfonio]-6-methoxy-4-oxidanylidene-chromen-2-olate

Systemtic Name: 3-[2-(2-acetyloxyphenyl)carbonyloxyethyl-methyl-sulfonio]-6-methoxy-4-oxidanylidene-chromen-2-olate Openeye Name: 3-[2-(2-acetoxybenzoyl)oxyethyl-methyl-sulfonio]-6-methoxy-4-oxo-chromen-2-olate CAS Name: 3-[2-[(2-acetyloxyphenyl)-oxomethoxy]ethyl-methylsulfonio]-6-methoxy-4-oxo-1-benzopyran-2-olate IUPAC Name: 3-[2-(2-acetyloxybenzoyl)oxyethyl-methylsulfonio]-6-methoxy-4-oxochromen-2-olate Traditional Name: 3-[2-(2-acetoxybenzoyl)oxyethyl-methyl-sulfonio]-4-keto-6-methoxy-chromen-2-olate Formula: C22H20O8S MolecularWeight: 444.4544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCC[S+](C)C2=C(OC3=C(C2=O)C=C(C=C3)OC)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCC[S+](C)C2=C(OC3=C(C2=O)C=C(C=C3)OC)[O-]

InChI

InChI=1S/C22H20O8S/c1-13(23)29-17-7-5-4-6-15(17)21(25)28-10-11-31(3)20-19(24)16-12-14(27-2)8-9-18(16)30-22(20)26/h4-9,12H,10-11H2,1-3H3