2-phenoxyethyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: 2-phenoxyethyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: 2-phenoxyethyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid 2-phenoxyethyl ester Formula: C23H19NO6S MolecularWeight: 437.46506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H19NO6S/c1-31-21-12-11-16(15-20(21)24(27)28)22(25)18-9-5-6-10-19(18)23(26)30-14-13-29-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3