4-(4-bromanyl-2-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name: 4-(4-bromanyl-2-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 4-(4-bromo-2-nitro-phenyl)sulfanylbenzoic acid CAS Name: 4-[(4-bromo-2-nitrophenyl)thio]benzoic acid IUPAC Name: 4-(4-bromo-2-nitrophenyl)sulfanylbenzoic acid Traditional Name: 4-[(4-bromo-2-nitro-phenyl)thio]benzoic acid Formula: C13H8BrNO4S MolecularWeight: 354.17592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

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