2-(4-chloranyl-2-nitro-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(4-chloranyl-2-nitro-phenyl)sulfanylethanoic acid Openeye Name: 2-(4-chloro-2-nitro-phenyl)sulfanylacetic acid CAS Name: 2-[(4-chloro-2-nitrophenyl)thio]acetic acid IUPAC Name: 2-(4-chloro-2-nitrophenyl)sulfanylacetic acid Traditional Name: 2-[(4-chloro-2-nitro-phenyl)thio]acetic acid Formula: C8H6ClNO4S MolecularWeight: 247.65554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C8H6ClNO4S/c9-5-1-2-7(15-4-8(11)12)6(3-5)10(13)14/h1-3H,4H2,(H,11,12)