[4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 2-chloranylbenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 2-chloranylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] ester Formula: C17H14ClNO5S2 MolecularWeight: 411.87976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2Cl)[N+](=O)[O-])C3SCCS3

Isomeric SMILES

COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2Cl)[N+](=O)[O-])C3SCCS3

InChI

InChI=1S/C17H14ClNO5S2/c1-23-14-9-10(17-25-6-7-26-17)8-13(19(21)22)15(14)24-16(20)11-4-2-3-5-12(11)18/h2-5,8-9,17H,6-7H2,1H3