S-[2,4-bis(bromanyl)phenyl] 4-nitrobenzenecarbothioate

Systemtic Name: S-[2,4-bis(bromanyl)phenyl] 4-nitrobenzenecarbothioate Openeye Name: S-(2,4-dibromophenyl) 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-(2,4-dibromophenyl) ester IUPAC Name: S-(2,4-dibromophenyl) 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-(2,4-dibromophenyl) ester Formula: C13H7Br2NO3S MolecularWeight: 417.07258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7Br2NO3S/c14-9-3-6-12(11(15)7-9)20-13(17)8-1-4-10(5-2-8)16(18)19/h1-7H