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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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