3-(3-chloranylphenoxy)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; ethyl-methoxy-propan-2-yloxycarbonyl-azanium; chloride

Systemtic Name: 3-(3-chloranylphenoxy)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; ethyl-methoxy-propan-2-yloxycarbonyl-azanium; chloride Openeye Name: 3-(3-chlorophenoxy)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; ethyl-isopropoxycarbonyl-methoxy-ammonium; chloride CAS Name: 3-(3-chlorophenoxy)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; ethyl-methoxy-[oxo(propan-2-yloxy)methyl]ammonium; chloride IUPAC Name: 3-(3-chlorophenoxy)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; ethyl-methoxy-propan-2-yloxycarbonylazanium; chloride Traditional Name: 3-(3-chlorophenoxy)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; ethyl-isopropoxycarbonyl-methoxy-ammonium; chloride Formula: C19H23Cl2NO5 MolecularWeight: 416.29562

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C(=O)OC(C)C)OC.C1=CC(=CC(=C1)Cl)OC2=C3C=CC(=C2)O3.[Cl-]

Isomeric SMILES

CC[NH+](C(=O)OC(C)C)OC.C1=CC(=CC(=C1)Cl)OC2=C3C=CC(=C2)O3.[Cl-]

InChI

InChI=1S/C12H7ClO2.C7H15NO3.ClH/c13-8-2-1-3-9(6-8)15-12-7-10-4-5-11(12)14-10;1-5-8(10-4)7(9)11-6(2)3;/h1-7H;6H,5H2,1-4H3;1H