6-[bis(oxidanyl)methylidene]-4-butyl-thieno[3,2-b]pyridine-5,7-dione

Systemtic Name: 6-[bis(oxidanyl)methylidene]-4-butyl-thieno[3,2-b]pyridine-5,7-dione Openeye Name: 4-butyl-6-(dihydroxymethylene)thieno[3,2-b]pyridine-5,7-dione CAS Name: 4-butyl-6-(dihydroxymethylidene)thieno[3,2-b]pyridine-5,7-dione IUPAC Name: 4-butyl-6-(dihydroxymethylidene)thieno[3,2-b]pyridine-5,7-dione Traditional Name: 4-butyl-6-(dihydroxymethylene)thieno[3,2-b]pyridine-5,7-quinone Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)C(=C(O)O)C1=O)SC=C2

Isomeric SMILES

CCCCN1C2=C(C(=O)C(=C(O)O)C1=O)SC=C2

InChI

InChI=1S/C12H13NO4S/c1-2-3-5-13-7-4-6-18-10(7)9(14)8(11(13)15)12(16)17/h4,6,16-17H,2-3,5H2,1H3