2-(2-bromophenyl)sulfanyl-5-nitro-benzoic acid

Systemtic Name: 2-(2-bromophenyl)sulfanyl-5-nitro-benzoic acid Openeye Name: 2-(2-bromophenyl)sulfanyl-5-nitro-benzoic acid CAS Name: 2-[(2-bromophenyl)thio]-5-nitrobenzoic acid IUPAC Name: 2-(2-bromophenyl)sulfanyl-5-nitrobenzoic acid Traditional Name: 2-[(2-bromophenyl)thio]-5-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=C(C=C2)[N+](=O)[O-])C(=O)O)Br

Isomeric SMILES

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

InChI

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