1-chloranyl-4-(4-chloranylphenoxy)benzene; 3-oxidanylidenebutanoylsulfamic acid

Systemtic Name: 1-chloranyl-4-(4-chloranylphenoxy)benzene; 3-oxidanylidenebutanoylsulfamic acid Openeye Name: 1-chloro-4-(4-chlorophenoxy)benzene; 3-oxobutanoylsulfamic acid CAS Name: 1-chloro-4-(4-chlorophenoxy)benzene; 1,3-dioxobutylsulfamic acid IUPAC Name: 1-chloro-4-(4-chlorophenoxy)benzene; 3-oxobutanoylsulfamic acid Traditional Name: acetoacetylsulfamic acid; 1-chloro-4-(4-chlorophenoxy)benzene Formula: C16H15Cl2NO6S MolecularWeight: 420.2644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NS(=O)(=O)O.C1=CC(=CC=C1OC2=CC=C(C=C2)Cl)Cl

Isomeric SMILES

CC(=O)CC(=O)NS(=O)(=O)O.C1=CC(=CC=C1OC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H8Cl2O.C4H7NO5S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-3(6)2-4(7)5-11(8,9)10/h1-8H;2H2,1H3,(H,5,7)(H,8,9,10)