2-(2-bromophenyl)sulfanyl-3-nitro-benzoic acid

Systemtic Name: 2-(2-bromophenyl)sulfanyl-3-nitro-benzoic acid Openeye Name: 2-(2-bromophenyl)sulfanyl-3-nitro-benzoic acid CAS Name: 2-[(2-bromophenyl)thio]-3-nitrobenzoic acid IUPAC Name: 2-(2-bromophenyl)sulfanyl-3-nitrobenzoic acid Traditional Name: 2-[(2-bromophenyl)thio]-3-nitro-benzoic acid Formula: C13H8BrNO4S MolecularWeight: 354.17592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8BrNO4S/c14-9-5-1-2-7-11(9)20-12-8(13(16)17)4-3-6-10(12)15(18)19/h1-7H,(H,16,17)