methyl (E)-7-(dioxidanyl)-7-(5-methylfuran-2-yl)hept-2-enoate

Systemtic Name: methyl (E)-7-(dioxidanyl)-7-(5-methylfuran-2-yl)hept-2-enoate Openeye Name: methyl (E)-7-hydroperoxy-7-(5-methyl-2-furyl)hept-2-enoate CAS Name: (E)-7-hydroperoxy-7-(5-methyl-2-furanyl)-2-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-hydroperoxy-7-(5-methylfuran-2-yl)hept-2-enoate Traditional Name: (E)-7-hydroperoxy-7-(5-methyl-2-furyl)hept-2-enoic acid methyl ester Formula: C13H18O5 MolecularWeight: 254.27902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CCCC=CC(=O)OC)OO

Isomeric SMILES

CC1=CC=C(O1)C(CCC/C=C/C(=O)OC)OO

InChI

InChI=1S/C13H18O5/c1-10-8-9-11(17-10)12(18-15)6-4-3-5-7-13(14)16-2/h5,7-9,12,15H,3-4,6H2,1-2H3/b7-5+