6-ethanoyl-7-oxidanyl-4-oxidanylidene-8-propyl-thiochromene-2-carboxylic acid

Systemtic Name: 6-ethanoyl-7-oxidanyl-4-oxidanylidene-8-propyl-thiochromene-2-carboxylic acid Openeye Name: 6-acetyl-7-hydroxy-4-oxo-8-propyl-thiochromene-2-carboxylic acid CAS Name: 6-acetyl-7-hydroxy-4-oxo-8-propyl-1-benzothiopyran-2-carboxylic acid IUPAC Name: 6-acetyl-7-hydroxy-4-oxo-8-propylthiochromene-2-carboxylic acid Traditional Name: 6-acetyl-7-hydroxy-4-keto-8-propyl-thiochromene-2-carboxylic acid Formula: C15H14O5S MolecularWeight: 306.33366

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1O)C(=O)C)C(=O)C=C(S2)C(=O)O

Isomeric SMILES

CCCC1=C2C(=CC(=C1O)C(=O)C)C(=O)C=C(S2)C(=O)O

InChI

InChI=1S/C15H14O5S/c1-3-4-8-13(18)9(7(2)16)5-10-11(17)6-12(15(19)20)21-14(8)10/h5-6,18H,3-4H2,1-2H3,(H,19,20)