2-(3-ethoxy-5-nitro-1-benzothiophen-2-yl)ethanoic acid

Systemtic Name: 2-(3-ethoxy-5-nitro-1-benzothiophen-2-yl)ethanoic acid Openeye Name: 2-(3-ethoxy-5-nitro-benzothiophen-2-yl)acetic acid CAS Name: 2-(3-ethoxy-5-nitro-1-benzothiophen-2-yl)acetic acid IUPAC Name: 2-(3-ethoxy-5-nitro-1-benzothiophen-2-yl)acetic acid Traditional Name: 2-(3-ethoxy-5-nitro-benzothiophen-2-yl)acetic acid Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CCOC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C12H11NO5S/c1-2-18-12-8-5-7(13(16)17)3-4-9(8)19-10(12)6-11(14)15/h3-5H,2,6H2,1H3,(H,14,15)