(4-methylsulfanylphenyl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (4-methylsulfanylphenyl) 2-chloranyl-4-nitro-benzoate Openeye Name: (4-methylsulfanylphenyl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-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=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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