(4-bromanyl-2-chloranyl-phenyl) 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (4-bromo-2-chloro-phenyl) 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (4-bromo-2-chloro-phenyl) ester Formula: C14H9BrClNO4S MolecularWeight: 402.64756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)OC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)OC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C14H9BrClNO4S/c15-9-1-6-13(12(16)7-9)21-14(18)8-22-11-4-2-10(3-5-11)17(19)20/h1-7H,8H2