2-(5-nitroquinolin-6-yl)sulfanylethanoic acid

Systemtic Name: 2-(5-nitroquinolin-6-yl)sulfanylethanoic acid Openeye Name: 2-[(5-nitro-6-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(5-nitro-6-quinolinyl)thio]acetic acid IUPAC Name: 2-(5-nitroquinolin-6-yl)sulfanylacetic acid Traditional Name: 2-[(5-nitro-6-quinolyl)thio]acetic acid Formula: C11H8N2O4S MolecularWeight: 264.25722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O4S/c14-10(15)6-18-9-4-3-8-7(2-1-5-12-8)11(9)13(16)17/h1-5H,6H2,(H,14,15)