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6-(1H-imidazol-2-ylsulfanyl)-5,7,8-tris(oxidanyl)naphthalene-1,4-dione

6-(1H-imidazol-2-ylsulfanyl)-5,7,8-tris(oxidanyl)naphthalene-1,4-dione

Systemtic Name:6-(1H-imidazol-2-ylsulfanyl)-5,7,8-tris(oxidanyl)naphthalene-1,4-dione
Openeye Name:5,6,8-trihydroxy-7-(1H-imidazol-2-ylsulfanyl)naphthalene-1,4-dione
CAS Name:5,6,8-trihydroxy-7-(1H-imidazol-2-ylthio)naphthalene-1,4-dione
IUPAC Name:5,6,8-trihydroxy-7-(1H-imidazol-2-ylsulfanyl)naphthalene-1,4-dione
Traditional Name:5,6,8-trihydroxy-7-(1H-imidazol-2-ylthio)-1,4-naphthoquinone
Formula: C13H8N2O5S
MolecularWeight: 304.27802
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)SC3=NC=CN3)O)O


Isomeric SMILES

C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)SC3=NC=CN3)O)O


InChI

InChI=1S/C13H8N2O5S/c16-5-1-2-6(17)8-7(5)9(18)11(20)12(10(8)19)21-13-14-3-4-15-13/h1-4,18-20H,(H,14,15)


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