5-bromanyl-3-nitro-2-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 5-bromanyl-3-nitro-2-(phenylmethylsulfanyl)benzoic acid Openeye Name: 2-benzylsulfanyl-5-bromo-3-nitro-benzoic acid CAS Name: 5-bromo-3-nitro-2-(phenylmethylthio)benzoic acid IUPAC Name: 2-benzylsulfanyl-5-bromo-3-nitrobenzoic acid Traditional Name: 2-(benzylthio)-5-bromo-3-nitro-benzoic acid Formula: C14H10BrNO4S MolecularWeight: 368.2025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2C(=O)O)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2C(=O)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H10BrNO4S/c15-10-6-11(14(17)18)13(12(7-10)16(19)20)21-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)