2-[[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanyl]acetic acid CAS Name: 2-[[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]acetic acid IUPAC Name: 2-[[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanyl]acetic acid Traditional Name: 2-[[2-(4-ketocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]thio]acetic acid Formula: C10H8N2O4S MolecularWeight: 252.24652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NN=C(O2)SCC(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=C2NN=C(O2)SCC(=O)O

InChI

InChI=1S/C10H8N2O4S/c13-7-3-1-6(2-4-7)9-11-12-10(16-9)17-5-8(14)15/h1-4,11H,5H2,(H,14,15)