butyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate

Systemtic Name: butyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate Openeye Name: butyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate CAS Name: 4-[[(4-nitrophenyl)thio]-oxomethyl]benzoic acid butyl ester IUPAC Name: butyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate Traditional Name: 4-[(4-nitrophenyl)thio]carbonylbenzoic acid butyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5S/c1-2-3-12-24-17(20)13-4-6-14(7-5-13)18(21)25-16-10-8-15(9-11-16)19(22)23/h4-11H,2-3,12H2,1H3