2-[1-(2-chlorophenyl)-2-nitro-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(2-chlorophenyl)-2-nitro-ethyl]sulfanylbenzoic acid Openeye Name: 2-[1-(2-chlorophenyl)-2-nitro-ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-(2-chlorophenyl)-2-nitroethyl]thio]benzoic acid IUPAC Name: 2-[1-(2-chlorophenyl)-2-nitroethyl]sulfanylbenzoic acid Traditional Name: 2-[[1-(2-chlorophenyl)-2-nitro-ethyl]thio]benzoic acid Formula: C15H12ClNO4S MolecularWeight: 337.77808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2C(=O)O)Cl

InChI

InChI=1S/C15H12ClNO4S/c16-12-7-3-1-5-10(12)14(9-17(20)21)22-13-8-4-2-6-11(13)15(18)19/h1-8,14H,9H2,(H,18,19)