(2-chloranyl-4-isocyanato-phenyl) 3-chloranylbenzenesulfonate

Systemtic Name: (2-chloranyl-4-isocyanato-phenyl) 3-chloranylbenzenesulfonate Openeye Name: (2-chloro-4-isocyanato-phenyl) 3-chlorobenzenesulfonate CAS Name: 3-chlorobenzenesulfonic acid (2-chloro-4-isocyanatophenyl) ester IUPAC Name: (2-chloro-4-isocyanatophenyl) 3-chlorobenzenesulfonate Traditional Name: 3-chlorobenzenesulfonic acid (2-chloro-4-isocyanato-phenyl) ester Formula: C13H7Cl2NO4S MolecularWeight: 344.16998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)S(=O)(=O)OC2=C(C=C(C=C2)N=C=O)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)S(=O)(=O)OC2=C(C=C(C=C2)N=C=O)Cl

InChI

InChI=1S/C13H7Cl2NO4S/c14-9-2-1-3-11(6-9)21(18,19)20-13-5-4-10(16-8-17)7-12(13)15/h1-7H