2-methyl-6-oxidanyl-4-oxidanylidene-5-(phenylmethyl)thiopyran-3-carboxylic acid

Systemtic Name: 2-methyl-6-oxidanyl-4-oxidanylidene-5-(phenylmethyl)thiopyran-3-carboxylic acid Openeye Name: 5-benzyl-6-hydroxy-2-methyl-4-oxo-thiopyran-3-carboxylic acid CAS Name: 6-hydroxy-2-methyl-4-oxo-5-(phenylmethyl)-3-thiopyrancarboxylic acid IUPAC Name: 5-benzyl-6-hydroxy-2-methyl-4-oxothiopyran-3-carboxylic acid Traditional Name: 5-benzyl-6-hydroxy-4-keto-2-methyl-thiopyran-3-carboxylic acid Formula: C14H12O4S MolecularWeight: 276.30768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(S1)O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=O)C(=C(S1)O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H12O4S/c1-8-11(13(16)17)12(15)10(14(18)19-8)7-9-5-3-2-4-6-9/h2-6,18H,7H2,1H3,(H,16,17)