[2-cyano-4-(dioxidanylmethyl)-5-oxidanyl-phenyl] 2-chloranylethanesulfonate

Systemtic Name: [2-cyano-4-(dioxidanylmethyl)-5-oxidanyl-phenyl] 2-chloranylethanesulfonate Openeye Name: [2-cyano-4-(hydroperoxymethyl)-5-hydroxy-phenyl] 2-chloroethanesulfonate CAS Name: 2-chloroethanesulfonic acid [2-cyano-4-(hydroperoxymethyl)-5-hydroxyphenyl] ester IUPAC Name: [2-cyano-4-(hydroperoxymethyl)-5-hydroxyphenyl] 2-chloroethanesulfonate Traditional Name: 2-chloroethanesulfonic acid [2-cyano-4-(hydroperoxymethyl)-5-hydroxy-phenyl] ester Formula: C10H10ClNO6S MolecularWeight: 307.7075

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1COO)O)OS(=O)(=O)CCCl)C#N

Isomeric SMILES

C1=C(C(=CC(=C1COO)O)OS(=O)(=O)CCCl)C#N

InChI

InChI=1S/C10H10ClNO6S/c11-1-2-19(15,16)18-10-4-9(13)8(6-17-14)3-7(10)5-12/h3-4,13-14H,1-2,6H2