methyl 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate Openeye Name: methyl 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-chlorophenyl)thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(4-chlorophenyl)thio]-3-nitro-benzoic acid methyl ester Formula: C14H10ClNO4S MolecularWeight: 323.7515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

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