methyl (E)-3-[4-(2-ethylhexyl)phenyl]prop-2-eneperoxoate

Systemtic Name: methyl (E)-3-[4-(2-ethylhexyl)phenyl]prop-2-eneperoxoate Openeye Name: methyl (E)-3-[4-(2-ethylhexyl)phenyl]prop-2-eneperoxoate CAS Name: (E)-3-[4-(2-ethylhexyl)phenyl]-2-propeneperoxoic acid methyl ester IUPAC Name: methyl (E)-3-[4-(2-ethylhexyl)phenyl]prop-2-eneperoxoate Traditional Name: (E)-3-[4-(2-ethylhexyl)phenyl]peroxyacrylic acid methyl ester Formula: C18H26O3 MolecularWeight: 290.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=CC=C(C=C1)C=CC(=O)OOC

Isomeric SMILES

CCCCC(CC)CC1=CC=C(C=C1)/C=C/C(=O)OOC

InChI

InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-17-10-8-16(9-11-17)12-13-18(19)21-20-3/h8-13,15H,4-7,14H2,1-3H3/b13-12+