(3-chloranyl-4-isocyanato-phenyl) ethanesulfonate

Systemtic Name: (3-chloranyl-4-isocyanato-phenyl) ethanesulfonate Openeye Name: (3-chloro-4-isocyanato-phenyl) ethanesulfonate CAS Name: ethanesulfonic acid (3-chloro-4-isocyanatophenyl) ester IUPAC Name: (3-chloro-4-isocyanatophenyl) ethanesulfonate Traditional Name: ethanesulfonic acid (3-chloro-4-isocyanato-phenyl) ester Formula: C9H8ClNO4S MolecularWeight: 261.68212

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC(=C(C=C1)N=C=O)Cl

Isomeric SMILES

CCS(=O)(=O)OC1=CC(=C(C=C1)N=C=O)Cl

InChI

InChI=1S/C9H8ClNO4S/c1-2-16(13,14)15-7-3-4-9(11-6-12)8(10)5-7/h3-5H,2H2,1H3