5-ethanoyl-6-oxidanyl-7-propyl-1-benzothiophene-3-carboxylic acid

Systemtic Name: 5-ethanoyl-6-oxidanyl-7-propyl-1-benzothiophene-3-carboxylic acid Openeye Name: 5-acetyl-6-hydroxy-7-propyl-benzothiophene-3-carboxylic acid CAS Name: 5-acetyl-6-hydroxy-7-propyl-1-benzothiophene-3-carboxylic acid IUPAC Name: 5-acetyl-6-hydroxy-7-propyl-1-benzothiophene-3-carboxylic acid Traditional Name: 5-acetyl-6-hydroxy-7-propyl-benzothiophene-3-carboxylic acid Formula: C14H14O4S MolecularWeight: 278.32356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1O)C(=O)C)C(=CS2)C(=O)O

Isomeric SMILES

CCCC1=C2C(=CC(=C1O)C(=O)C)C(=CS2)C(=O)O

InChI

InChI=1S/C14H14O4S/c1-3-4-8-12(16)9(7(2)15)5-10-11(14(17)18)6-19-13(8)10/h5-6,16H,3-4H2,1-2H3,(H,17,18)