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

Systemtic Name: 2-(5-nitro-3-oxidanyl-1-benzothiophen-2-yl)ethanoic acid Openeye Name: 2-(3-hydroxy-5-nitro-benzothiophen-2-yl)acetic acid CAS Name: 2-(3-hydroxy-5-nitro-1-benzothiophen-2-yl)acetic acid IUPAC Name: 2-(3-hydroxy-5-nitro-1-benzothiophen-2-yl)acetic acid Traditional Name: 2-(3-hydroxy-5-nitro-benzothiophen-2-yl)acetic acid Formula: C10H7NO5S MolecularWeight: 253.23128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=C(S2)CC(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=C(S2)CC(=O)O)O

InChI

InChI=1S/C10H7NO5S/c12-9(13)4-8-10(14)6-3-5(11(15)16)1-2-7(6)17-8/h1-3,14H,4H2,(H,12,13)