2-(6-methyl-2-oxidanyl-4-oxidanylidene-pyran-3-yl)sulfanylbenzoic acid

Systemtic Name: 2-(6-methyl-2-oxidanyl-4-oxidanylidene-pyran-3-yl)sulfanylbenzoic acid Openeye Name: 2-(2-hydroxy-6-methyl-4-oxo-pyran-3-yl)sulfanylbenzoic acid CAS Name: 2-[(2-hydroxy-6-methyl-4-oxo-3-pyranyl)thio]benzoic acid IUPAC Name: 2-(2-hydroxy-6-methyl-4-oxopyran-3-yl)sulfanylbenzoic acid Traditional Name: 2-[(2-hydroxy-4-keto-6-methyl-pyran-3-yl)thio]benzoic acid Formula: C13H10O5S MolecularWeight: 278.2805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H10O5S/c1-7-6-9(14)11(13(17)18-7)19-10-5-3-2-4-8(10)12(15)16/h2-6,17H,1H3,(H,15,16)