4-(4-chloranyl-3-nitro-phenyl)sulfonyloxybut-2-ynyl 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: 4-(4-chloranyl-3-nitro-phenyl)sulfonyloxybut-2-ynyl 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: 4-(4-chloro-3-nitro-phenyl)sulfonyloxybut-2-ynyl 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid 4-(4-chloro-3-nitrophenyl)sulfonyloxybut-2-ynyl ester IUPAC Name: 4-(4-chloro-3-nitrophenyl)sulfonyloxybut-2-ynyl 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid 4-(4-chloro-3-nitro-phenyl)sulfonyloxybut-2-ynyl ester Formula: C16H10Cl2N2O10S2 MolecularWeight: 525.294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)OCC#CCOS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)OCC#CCOS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10Cl2N2O10S2/c17-13-5-3-11(9-15(13)19(21)22)31(25,26)29-7-1-2-8-30-32(27,28)12-4-6-14(18)16(10-12)20(23)24/h3-6,9-10H,7-8H2