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

Systemtic Name: 2-(5-methoxy-8-nitro-4-oxidanylidene-2,3-dihydrothiochromen-2-yl)ethanoic acid Openeye Name: 2-(5-methoxy-8-nitro-4-oxo-thiochroman-2-yl)acetic acid CAS Name: 2-(5-methoxy-8-nitro-4-oxo-2,3-dihydro-1-benzothiopyran-2-yl)acetic acid IUPAC Name: 2-(5-methoxy-8-nitro-4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid Traditional Name: 2-(4-keto-5-methoxy-8-nitro-thiochroman-2-yl)acetic acid Formula: C12H11NO6S MolecularWeight: 297.28384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=O)CC(SC2=C(C=C1)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

COC1=C2C(=O)CC(SC2=C(C=C1)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C12H11NO6S/c1-19-9-3-2-7(13(17)18)12-11(9)8(14)4-6(20-12)5-10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)