4-butoxy-1,1-bis(oxidanylidene)-1-benzothiophene-5-carboxylic acid

Systemtic Name: 4-butoxy-1,1-bis(oxidanylidene)-1-benzothiophene-5-carboxylic acid Openeye Name: 4-butoxy-1,1-dioxo-benzothiophene-5-carboxylic acid CAS Name: 4-butoxy-1,1-dioxo-1-benzothiophene-5-carboxylic acid IUPAC Name: 4-butoxy-1,1-dioxo-1-benzothiophene-5-carboxylic acid Traditional Name: 4-butoxy-1,1-diketo-benzothiophene-5-carboxylic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC2=C1C=CS2(=O)=O)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=CC2=C1C=CS2(=O)=O)C(=O)O

InChI

InChI=1S/C13H14O5S/c1-2-3-7-18-12-9-6-8-19(16,17)11(9)5-4-10(12)13(14)15/h4-6,8H,2-3,7H2,1H3,(H,14,15)