(4-propanoylphenyl) 2-(4-nitrophenyl)sulfanylbenzoate

Systemtic Name: (4-propanoylphenyl) 2-(4-nitrophenyl)sulfanylbenzoate Openeye Name: (4-propanoylphenyl) 2-(4-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 2-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid (4-propionylphenyl) ester Formula: C22H17NO5S MolecularWeight: 407.43908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO5S/c1-2-20(24)15-7-11-17(12-8-15)28-22(25)19-5-3-4-6-21(19)29-18-13-9-16(10-14-18)23(26)27/h3-14H,2H2,1H3