2-(4-chlorophenyl)sulfanylethyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C17H16ClNO6S MolecularWeight: 397.83004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCCSC2=CC=C(C=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCCSC2=CC=C(C=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16ClNO6S/c1-23-15-9-13(14(19(21)22)10-16(15)24-2)17(20)25-7-8-26-12-5-3-11(18)4-6-12/h3-6,9-10H,7-8H2,1-2H3