[4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 2,5-bis(chloranyl)benzenesulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 2,5-bis(chloranyl)benzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 2,5-dichlorobenzenesulfonate CAS Name: 2,5-dichlorobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] 2,5-dichlorobenzenesulfonate Traditional Name: 2,5-dichlorobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] ester Formula: C16H13Cl2NO6S3 MolecularWeight: 482.37852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])C3SCCS3

Isomeric SMILES

COC1=CC(=CC(=C1OS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])C3SCCS3

InChI

InChI=1S/C16H13Cl2NO6S3/c1-24-13-7-9(16-26-4-5-27-16)6-12(19(20)21)15(13)25-28(22,23)14-8-10(17)2-3-11(14)18/h2-3,6-8,16H,4-5H2,1H3