2-oxidanyl-2-[10-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)anthracen-9-yl]ethanoate

Systemtic Name: 2-oxidanyl-2-[10-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)anthracen-9-yl]ethanoate Openeye Name: 2-hydroxy-2-[10-(5-thioxo-2H-tetrazol-1-yl)-9-anthryl]acetate CAS Name: 2-hydroxy-2-[10-(5-sulfanylidene-2H-tetrazol-1-yl)-9-anthracenyl]acetate IUPAC Name: 2-hydroxy-2-[10-(5-sulfanylidene-2H-tetrazol-1-yl)anthracen-9-yl]acetate Traditional Name: 2-hydroxy-2-[10-(5-thioxo-2H-tetrazol-1-yl)-9-anthryl]acetate Formula: C17H11N4O3S- MolecularWeight: 351.35924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2N4C(=S)N=NN4)C(C(=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2N4C(=S)N=NN4)C(C(=O)[O-])O

InChI

InChI=1S/C17H12N4O3S/c22-15(16(23)24)13-9-5-1-3-7-11(9)14(21-17(25)18-19-20-21)12-8-4-2-6-10(12)13/h1-8,15,22H,(H,23,24)(H,18,20,25)/p-1