2-[1-(3-chlorophenyl)-2-nitro-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(3-chlorophenyl)-2-nitro-ethyl]sulfanylbenzoic acid Openeye Name: 2-[1-(3-chlorophenyl)-2-nitro-ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-(3-chlorophenyl)-2-nitroethyl]thio]benzoic acid IUPAC Name: 2-[1-(3-chlorophenyl)-2-nitroethyl]sulfanylbenzoic acid Traditional Name: 2-[[1-(3-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(=O)O)SC(C[N+](=O)[O-])C2=CC(=CC=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC(C[N+](=O)[O-])C2=CC(=CC=C2)Cl

InChI

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