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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitro-phenyl] ester Formula: C16H14ClNO6S3 MolecularWeight: 447.93346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO6S3/c1-23-14-9-10(16-25-6-7-26-16)8-13(18(19)20)15(14)24-27(21,22)12-4-2-11(17)3-5-12/h2-5,8-9,16H,6-7H2,1H3