(E)-2-bromanyl-4,4-dimethyl-pent-2-enoate; 1,2-diphenylethane-1,2-dione

Systemtic Name: (E)-2-bromanyl-4,4-dimethyl-pent-2-enoate; 1,2-diphenylethane-1,2-dione Openeye Name: (E)-2-bromo-4,4-dimethyl-pent-2-enoate; 1,2-diphenylethane-1,2-dione CAS Name: (E)-2-bromo-4,4-dimethyl-2-pentenoate; 1,2-diphenylethane-1,2-dione IUPAC Name: (E)-2-bromo-4,4-dimethylpent-2-enoate; 1,2-diphenylethane-1,2-dione Traditional Name: benzil; (E)-2-bromo-4,4-dimethyl-pent-2-enoate Formula: C21H20BrO4- MolecularWeight: 416.2851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=C(C(=O)[O-])Br.C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)/C=C(\C(=O)[O-])/Br.C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H10O2.C7H11BrO2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-7(2,3)4-5(8)6(9)10/h1-10H;4H,1-3H3,(H,9,10)/p-1/b;5-4+