10-oxidanylidene-2,3,6,7-tetrahydrothiepino[4,5-g][1,4]benzodioxine-7-carboxylic acid

Systemtic Name: 10-oxidanylidene-2,3,6,7-tetrahydrothiepino[4,5-g][1,4]benzodioxine-7-carboxylic acid Openeye Name: 10-oxo-2,3,6,7-tetrahydrothiepino[4,5-g][1,4]benzodioxine-7-carboxylic acid CAS Name: 10-oxo-2,3,6,7-tetrahydrothiepino[4,5-g][1,4]benzodioxin-7-carboxylic acid IUPAC Name: 10-oxo-2,3,6,7-tetrahydrothiepino[4,5-g][1,4]benzodioxine-7-carboxylic acid Traditional Name: 10-keto-2,3,6,7-tetrahydrothiepino[4,5-g][1,4]benzodioxin-7-carboxylic acid Formula: C13H12O5S MolecularWeight: 280.29638

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C3CC(SCC(=O)C3=C2)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C3CC(SCC(=O)C3=C2)C(=O)O

InChI

InChI=1S/C13H12O5S/c14-9-6-19-12(13(15)16)4-7-3-10-11(5-8(7)9)18-2-1-17-10/h3,5,12H,1-2,4,6H2,(H,15,16)