2-phenoxyethyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: 2-phenoxyethyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: 2-phenoxyethyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid 2-phenoxyethyl ester Formula: C16H15NO5S MolecularWeight: 333.359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCCOC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCCOC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO5S/c1-23-15-8-7-12(11-14(15)17(19)20)16(18)22-10-9-21-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3