2-[1-(2,4-dichlorophenyl)-2-nitro-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(2,4-dichlorophenyl)-2-nitro-ethyl]sulfanylbenzoic acid Openeye Name: 2-[1-(2,4-dichlorophenyl)-2-nitro-ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-(2,4-dichlorophenyl)-2-nitroethyl]thio]benzoic acid IUPAC Name: 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]sulfanylbenzoic acid Traditional Name: 2-[[1-(2,4-dichlorophenyl)-2-nitro-ethyl]thio]benzoic acid Formula: C15H11Cl2NO4S MolecularWeight: 372.22314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11Cl2NO4S/c16-9-5-6-10(12(17)7-9)14(8-18(21)22)23-13-4-2-1-3-11(13)15(19)20/h1-7,14H,8H2,(H,19,20)