2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-benzoate

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-benzoate Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)methylthio]-5-nitrobenzoate IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-chlorobenzyl)thio]-5-nitro-benzoate Formula: C14H9ClNO4S- MolecularWeight: 322.74356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-])Cl

InChI

InChI=1S/C14H10ClNO4S/c15-10-3-1-9(2-4-10)8-21-13-6-5-11(16(19)20)7-12(13)14(17)18/h1-7H,8H2,(H,17,18)/p-1