propyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate

Systemtic Name: propyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate Openeye Name: propyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate CAS Name: 4-[[(4-nitrophenyl)thio]-oxomethyl]benzoic acid propyl ester IUPAC Name: propyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate Traditional Name: 4-[(4-nitrophenyl)thio]carbonylbenzoic acid propyl ester Formula: C17H15NO5S MolecularWeight: 345.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5S/c1-2-11-23-16(19)12-3-5-13(6-4-12)17(20)24-15-9-7-14(8-10-15)18(21)22/h3-10H,2,11H2,1H3