[4-(1,3-dithiolan-2-yl)phenyl] 4-nitrobenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-nitrobenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C16H13NO4S2 MolecularWeight: 347.40872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO4S2/c18-15(11-1-5-13(6-2-11)17(19)20)21-14-7-3-12(4-8-14)16-22-9-10-23-16/h1-8,16H,9-10H2