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

Systemtic Name: [2-(1,3-dithiolan-2-yl)-4-nitro-phenyl] 4-chloranylbenzoate Openeye Name: [2-(1,3-dithiolan-2-yl)-4-nitro-phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-(1,3-dithiolan-2-yl)-4-nitrophenyl] ester IUPAC Name: [2-(1,3-dithiolan-2-yl)-4-nitrophenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-(1,3-dithiolan-2-yl)-4-nitro-phenyl] ester Formula: C16H12ClNO4S2 MolecularWeight: 381.85378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO4S2/c17-11-3-1-10(2-4-11)15(19)22-14-6-5-12(18(20)21)9-13(14)16-23-7-8-24-16/h1-6,9,16H,7-8H2