(Z)-3-(3-methylphenyl)carbonyl-4-oxidanylidene-4-(2-phenylpropan-2-yloxyperoxy)but-2-enoic acid

Systemtic Name: (Z)-3-(3-methylphenyl)carbonyl-4-oxidanylidene-4-(2-phenylpropan-2-yloxyperoxy)but-2-enoic acid Openeye Name: (Z)-3-(3-methylbenzoyl)-4-(1-methyl-1-phenyl-ethoxy)peroxy-4-oxo-but-2-enoic acid CAS Name: (Z)-3-[(3-methylphenyl)-oxomethyl]-4-oxo-4-(2-phenylpropan-2-yloxydioxy)-2-butenoic acid IUPAC Name: (Z)-3-(3-methylbenzoyl)-4-oxo-4-(2-phenylpropan-2-yloxyperoxy)but-2-enoic acid Traditional Name: (Z)-3-cumyloxyperoxycarbonyl-4-keto-4-(m-tolyl)but-2-enoic acid Formula: C21H20O7 MolecularWeight: 384.3793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC(=O)O)C(=O)OOOC(C)(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C(=O)O)/C(=O)OOOC(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C21H20O7/c1-14-8-7-9-15(12-14)19(24)17(13-18(22)23)20(25)26-28-27-21(2,3)16-10-5-4-6-11-16/h4-13H,1-3H3,(H,22,23)/b17-13-