8-nitro-1H-isothiochromen-4-one

Systemtic Name: 8-nitro-1H-isothiochromen-4-one Openeye Name: 8-nitroisothiochroman-4-one CAS Name: 8-nitro-1H-2-benzothiopyran-4-one IUPAC Name: 8-nitro-1H-isothiochromen-4-one Traditional Name: 8-nitroisothiochroman-4-one Formula: C9H7NO3S MolecularWeight: 209.22178

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)CS1

Isomeric SMILES

C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)CS1

InChI

InChI=1S/C9H7NO3S/c11-9-5-14-4-7-6(9)2-1-3-8(7)10(12)13/h1-3H,4-5H2