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

Systemtic Name: 4-hexoxy-1,1-bis(oxidanylidene)-1-benzothiophene-5-carboxylic acid Openeye Name: 4-hexoxy-1,1-dioxo-benzothiophene-5-carboxylic acid CAS Name: 4-hexoxy-1,1-dioxo-1-benzothiophene-5-carboxylic acid IUPAC Name: 4-hexoxy-1,1-dioxo-1-benzothiophene-5-carboxylic acid Traditional Name: 4-hexoxy-1,1-diketo-benzothiophene-5-carboxylic acid Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC2=C1C=CS2(=O)=O)C(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=CC2=C1C=CS2(=O)=O)C(=O)O

InChI

InChI=1S/C15H18O5S/c1-2-3-4-5-9-20-14-11-8-10-21(18,19)13(11)7-6-12(14)15(16)17/h6-8,10H,2-5,9H2,1H3,(H,16,17)