4-(2-chloranyl-4-nitro-phenyl)sulfanylbenzoate

Systemtic Name: 4-(2-chloranyl-4-nitro-phenyl)sulfanylbenzoate Openeye Name: 4-(2-chloro-4-nitro-phenyl)sulfanylbenzoate CAS Name: 4-[(2-chloro-4-nitrophenyl)thio]benzoate IUPAC Name: 4-(2-chloro-4-nitrophenyl)sulfanylbenzoate Traditional Name: 4-[(2-chloro-4-nitro-phenyl)thio]benzoate Formula: C13H7ClNO4S- MolecularWeight: 308.71698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8ClNO4S/c14-11-7-9(15(18)19)3-6-12(11)20-10-4-1-8(2-5-10)13(16)17/h1-7H,(H,16,17)/p-1