methyl (E)-3-(4-octan-3-ylphenyl)prop-2-eneperoxoate

Systemtic Name: methyl (E)-3-(4-octan-3-ylphenyl)prop-2-eneperoxoate Openeye Name: methyl (E)-3-[4-(1-ethylhexyl)phenyl]prop-2-eneperoxoate CAS Name: (E)-3-(4-octan-3-ylphenyl)-2-propeneperoxoic acid methyl ester IUPAC Name: methyl (E)-3-(4-octan-3-ylphenyl)prop-2-eneperoxoate Traditional Name: (E)-3-[4-(1-ethylhexyl)phenyl]peroxyacrylic acid methyl ester Formula: C18H26O3 MolecularWeight: 290.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(CC)C1=CC=C(C=C1)/C=C/C(=O)OOC

InChI

InChI=1S/C18H26O3/c1-4-6-7-8-16(5-2)17-12-9-15(10-13-17)11-14-18(19)21-20-3/h9-14,16H,4-8H2,1-3H3/b14-11+