2-[2,5-bis(chloranyl)phenyl]sulfanyl-5-nitro-benzoic acid

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfanyl-5-nitro-benzoic acid Openeye Name: 2-(2,5-dichlorophenyl)sulfanyl-5-nitro-benzoic acid CAS Name: 2-[(2,5-dichlorophenyl)thio]-5-nitrobenzoic acid IUPAC Name: 2-(2,5-dichlorophenyl)sulfanyl-5-nitrobenzoic acid Traditional Name: 2-[(2,5-dichlorophenyl)thio]-5-nitro-benzoic acid Formula: C13H7Cl2NO4S MolecularWeight: 344.16998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)SC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)SC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C13H7Cl2NO4S/c14-7-1-3-10(15)12(5-7)21-11-4-2-8(16(19)20)6-9(11)13(17)18/h1-6H,(H,17,18)