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

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)sulfanylbenzoate Openeye Name: 4-(4-chloro-2-nitro-phenyl)sulfanylbenzoate CAS Name: 4-[(4-chloro-2-nitrophenyl)thio]benzoate IUPAC Name: 4-(4-chloro-2-nitrophenyl)sulfanylbenzoate Traditional Name: 4-[(4-chloro-2-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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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