2-(4-chlorophenyl)sulfanylethyl 5-chloranyl-2-nitro-benzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 5-chloranyl-2-nitro-benzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C15H11Cl2NO4S MolecularWeight: 372.22314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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