2-methylsulfanyl-2-(7-nitro-1-benzofuran-2-yl)ethanoic acid

Systemtic Name: 2-methylsulfanyl-2-(7-nitro-1-benzofuran-2-yl)ethanoic acid Openeye Name: 2-methylsulfanyl-2-(7-nitrobenzofuran-2-yl)acetic acid CAS Name: 2-(methylthio)-2-(7-nitro-2-benzofuranyl)acetic acid IUPAC Name: 2-methylsulfanyl-2-(7-nitro-1-benzofuran-2-yl)acetic acid Traditional Name: 2-(methylthio)-2-(7-nitrobenzofuran-2-yl)acetic acid Formula: C11H9NO5S MolecularWeight: 267.25786

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C1=CC2=C(O1)C(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CSC(C1=CC2=C(O1)C(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H9NO5S/c1-18-10(11(13)14)8-5-6-3-2-4-7(12(15)16)9(6)17-8/h2-5,10H,1H3,(H,13,14)