2-(8-nitro-5-oxidanyl-4-oxidanylidene-2,3-dihydrothiochromen-2-yl)ethanoic acid

Systemtic Name: 2-(8-nitro-5-oxidanyl-4-oxidanylidene-2,3-dihydrothiochromen-2-yl)ethanoic acid Openeye Name: 2-(5-hydroxy-8-nitro-4-oxo-thiochroman-2-yl)acetic acid CAS Name: 2-(5-hydroxy-8-nitro-4-oxo-2,3-dihydro-1-benzothiopyran-2-yl)acetic acid IUPAC Name: 2-(5-hydroxy-8-nitro-4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid Traditional Name: 2-(5-hydroxy-4-keto-8-nitro-thiochroman-2-yl)acetic acid Formula: C11H9NO6S MolecularWeight: 283.25726

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=C(C=CC(=C2C1=O)O)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1C(SC2=C(C=CC(=C2C1=O)O)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C11H9NO6S/c13-7-2-1-6(12(17)18)11-10(7)8(14)3-5(19-11)4-9(15)16/h1-2,5,13H,3-4H2,(H,15,16)