[4-bromanyl-2-(1,3-dithiolan-2-yl)phenyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [4-bromanyl-2-(1,3-dithiolan-2-yl)phenyl] 5-nitrofuran-2-carboxylate Openeye Name: [4-bromo-2-(1,3-dithiolan-2-yl)phenyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [4-bromo-2-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-bromo-2-(1,3-dithiolan-2-yl)phenyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [4-bromo-2-(1,3-dithiolan-2-yl)phenyl] ester Formula: C14H10BrNO5S2 MolecularWeight: 416.2669

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CSC(S1)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C14H10BrNO5S2/c15-8-1-2-10(9(7-8)14-22-5-6-23-14)21-13(17)11-3-4-12(20-11)16(18)19/h1-4,7,14H,5-6H2