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

Systemtic Name: 2-(5,7,8-trimethyl-6-oxidanyl-2-oxidanylidene-1,4-benzoxathiin-3-yl)ethanoic acid Openeye Name: 2-(6-hydroxy-5,7,8-trimethyl-2-oxo-1,4-benzoxathiin-3-yl)acetic acid CAS Name: 2-(6-hydroxy-5,7,8-trimethyl-2-oxo-1,4-benzoxathiin-3-yl)acetic acid IUPAC Name: 2-(6-hydroxy-5,7,8-trimethyl-2-oxo-1,4-benzoxathiin-3-yl)acetic acid Traditional Name: 2-(6-hydroxy-2-keto-5,7,8-trimethyl-1,4-benzoxathiin-3-yl)acetic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O5S/c1-5-6(2)11-12(7(3)10(5)16)19-8(4-9(14)15)13(17)18-11/h8,16H,4H2,1-3H3,(H,14,15)