2-[1-(4-chlorophenyl)-2-nitro-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[1-(4-chlorophenyl)-2-nitro-ethyl]sulfanylethanoic acid Openeye Name: 2-[1-(4-chlorophenyl)-2-nitro-ethyl]sulfanylacetic acid CAS Name: 2-[[1-(4-chlorophenyl)-2-nitroethyl]thio]acetic acid IUPAC Name: 2-[1-(4-chlorophenyl)-2-nitroethyl]sulfanylacetic acid Traditional Name: 2-[[1-(4-chlorophenyl)-2-nitro-ethyl]thio]acetic acid Formula: C10H10ClNO4S MolecularWeight: 275.7087

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C[N+](=O)[O-])SCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(C[N+](=O)[O-])SCC(=O)O)Cl

InChI

InChI=1S/C10H10ClNO4S/c11-8-3-1-7(2-4-8)9(5-12(15)16)17-6-10(13)14/h1-4,9H,5-6H2,(H,13,14)