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

Systemtic Name: 4-octoxy-1,1-bis(oxidanylidene)-1-benzothiophene-5-carboxylic acid Openeye Name: 4-octoxy-1,1-dioxo-benzothiophene-5-carboxylic acid CAS Name: 4-octoxy-1,1-dioxo-1-benzothiophene-5-carboxylic acid IUPAC Name: 4-octoxy-1,1-dioxo-1-benzothiophene-5-carboxylic acid Traditional Name: 1,1-diketo-4-octoxy-benzothiophene-5-carboxylic acid Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC2=C1C=CS2(=O)=O)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=CC2=C1C=CS2(=O)=O)C(=O)O

InChI

InChI=1S/C17H22O5S/c1-2-3-4-5-6-7-11-22-16-13-10-12-23(20,21)15(13)9-8-14(16)17(18)19/h8-10,12H,2-7,11H2,1H3,(H,18,19)