(E)-4-oxidanylidene-4-(2-oxidanylpropylperoxy)but-2-enoate; 2-phenylchromen-4-one

Systemtic Name: (E)-4-oxidanylidene-4-(2-oxidanylpropylperoxy)but-2-enoate; 2-phenylchromen-4-one Openeye Name: (E)-4-(2-hydroxypropylperoxy)-4-oxo-but-2-enoate; 2-phenylchromen-4-one CAS Name: (E)-4-(2-hydroxypropyldioxy)-4-oxo-2-butenoate; 2-phenyl-1-benzopyran-4-one IUPAC Name: (E)-4-(2-hydroxypropylperoxy)-4-oxobut-2-enoate; 2-phenylchromen-4-one Traditional Name: flavone; (E)-4-(2-hydroxypropylperoxy)-4-keto-but-2-enoate Formula: C22H19O8- MolecularWeight: 411.38146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COOC(=O)C=CC(=O)[O-])O.C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

Isomeric SMILES

CC(COOC(=O)/C=C/C(=O)[O-])O.C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C15H10O2.C7H10O6/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-5(8)4-12-13-7(11)3-2-6(9)10/h1-10H;2-3,5,8H,4H2,1H3,(H,9,10)/p-1/b;3-2+