[4-bromanyl-4-(4-chloranylphenoxy)-2,2-dimethyl-3-oxidanylidene-butyl] ethanoate; chloranylbenzene

Systemtic Name: [4-bromanyl-4-(4-chloranylphenoxy)-2,2-dimethyl-3-oxidanylidene-butyl] ethanoate; chloranylbenzene Openeye Name: [4-bromo-4-(4-chlorophenoxy)-2,2-dimethyl-3-oxo-butyl] acetate; chlorobenzene CAS Name: acetic acid [4-bromo-4-(4-chlorophenoxy)-2,2-dimethyl-3-oxobutyl] ester; chlorobenzene IUPAC Name: [4-bromo-4-(4-chlorophenoxy)-2,2-dimethyl-3-oxobutyl] acetate; chlorobenzene Traditional Name: acetic acid [4-bromo-4-(4-chlorophenoxy)-3-keto-2,2-dimethyl-butyl] ester; chlorobenzene Formula: C20H21BrCl2O4 MolecularWeight: 476.18834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(C)C(=O)C(OC1=CC=C(C=C1)Cl)Br.C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(=O)OCC(C)(C)C(=O)C(OC1=CC=C(C=C1)Cl)Br.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H16BrClO4.C6H5Cl/c1-9(17)19-8-14(2,3)12(18)13(15)20-11-6-4-10(16)5-7-11;7-6-4-2-1-3-5-6/h4-7,13H,8H2,1-3H3;1-5H