methyl 2-(5,7,8-trimethyl-6-oxidanyl-2-oxidanylidene-1,4-benzoxathiin-3-yl)ethanoate

Systemtic Name: methyl 2-(5,7,8-trimethyl-6-oxidanyl-2-oxidanylidene-1,4-benzoxathiin-3-yl)ethanoate Openeye Name: methyl 2-(6-hydroxy-5,7,8-trimethyl-2-oxo-1,4-benzoxathiin-3-yl)acetate CAS Name: 2-(6-hydroxy-5,7,8-trimethyl-2-oxo-1,4-benzoxathiin-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(6-hydroxy-5,7,8-trimethyl-2-oxo-1,4-benzoxathiin-3-yl)acetate Traditional Name: 2-(6-hydroxy-2-keto-5,7,8-trimethyl-1,4-benzoxathiin-3-yl)acetic acid methyl ester Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1O)C)SC(C(=O)O2)CC(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C(=C1O)C)SC(C(=O)O2)CC(=O)OC)C

InChI

InChI=1S/C14H16O5S/c1-6-7(2)12-13(8(3)11(6)16)20-9(14(17)19-12)5-10(15)18-4/h9,16H,5H2,1-4H3