2-[[4-nitro-2-(trichloromethyl)phenyl]disulfanyl]benzoic acid

Systemtic Name: 2-[[4-nitro-2-(trichloromethyl)phenyl]disulfanyl]benzoic acid Openeye Name: 2-[[4-nitro-2-(trichloromethyl)phenyl]disulfanyl]benzoic acid CAS Name: 2-[[4-nitro-2-(trichloromethyl)phenyl]disulfanyl]benzoic acid IUPAC Name: 2-[[4-nitro-2-(trichloromethyl)phenyl]disulfanyl]benzoic acid Traditional Name: 2-[[4-nitro-2-(trichloromethyl)phenyl]disulfanyl]benzoic acid Formula: C14H8Cl3NO4S2 MolecularWeight: 424.70662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SSC2=C(C=C(C=C2)[N+](=O)[O-])C(Cl)(Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SSC2=C(C=C(C=C2)[N+](=O)[O-])C(Cl)(Cl)Cl

InChI

InChI=1S/C14H8Cl3NO4S2/c15-14(16,17)10-7-8(18(21)22)5-6-12(10)24-23-11-4-2-1-3-9(11)13(19)20/h1-7H,(H,19,20)