(4-methylsulfanylphenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (4-methylsulfanylphenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (4-methylsulfanylphenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-(methylthio)phenyl] ester Formula: C14H10ClNO4S MolecularWeight: 323.7515

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H10ClNO4S/c1-21-11-5-3-10(4-6-11)20-14(17)9-2-7-12(15)13(8-9)16(18)19/h2-8H,1H3