(E)-3-tert-butylperoxy-4-oxidanylidene-4-phenoxy-but-2-enoic acid

Systemtic Name: (E)-3-tert-butylperoxy-4-oxidanylidene-4-phenoxy-but-2-enoic acid Openeye Name: (E)-3-tert-butylperoxy-4-oxo-4-phenoxy-but-2-enoic acid CAS Name: (E)-3-tert-butyldioxy-4-oxo-4-phenoxy-2-butenoic acid IUPAC Name: (E)-3-tert-butylperoxy-4-oxo-4-phenoxybut-2-enoic acid Traditional Name: (E)-3-tert-butylperoxy-4-keto-4-phenoxy-but-2-enoic acid Formula: C14H16O6 MolecularWeight: 280.27324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OOC(=CC(=O)O)C(=O)OC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OO/C(=C/C(=O)O)/C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C14H16O6/c1-14(2,3)20-19-11(9-12(15)16)13(17)18-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16)/b11-9+