3-nitro-2-oxidanyl-thiochromen-4-one

Systemtic Name: 3-nitro-2-oxidanyl-thiochromen-4-one Openeye Name: 2-hydroxy-3-nitro-thiochromen-4-one CAS Name: 2-hydroxy-3-nitro-1-benzothiopyran-4-one IUPAC Name: 2-hydroxy-3-nitrothiochromen-4-one Traditional Name: 2-hydroxy-3-nitro-thiochromen-4-one Formula: C9H5NO4S MolecularWeight: 223.2053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(S2)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(S2)O)[N+](=O)[O-]

InChI

InChI=1S/C9H5NO4S/c11-8-5-3-1-2-4-6(5)15-9(12)7(8)10(13)14/h1-4,12H