2-(4-chlorophenyl)sulfanylethyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 4-chloranyl-3-nitro-benzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C15H11Cl2NO4S MolecularWeight: 372.22314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCOC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SCCOC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H11Cl2NO4S/c16-11-2-4-12(5-3-11)23-8-7-22-15(19)10-1-6-13(17)14(9-10)18(20)21/h1-6,9H,7-8H2