(4-heptylcyclohexyl)methyl (E)-3-phenylprop-2-eneperoxoate

Systemtic Name: (4-heptylcyclohexyl)methyl (E)-3-phenylprop-2-eneperoxoate Openeye Name: (4-heptylcyclohexyl)methyl (E)-3-phenylprop-2-eneperoxoate CAS Name: (E)-3-phenyl-2-propeneperoxoic acid (4-heptylcyclohexyl)methyl ester IUPAC Name: (4-heptylcyclohexyl)methyl (E)-3-phenylprop-2-eneperoxoate Traditional Name: (E)-3-phenylperoxyacrylic acid (4-heptylcyclohexyl)methyl ester Formula: C23H34O3 MolecularWeight: 358.51426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)COOC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1CCC(CC1)COOC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C23H34O3/c1-2-3-4-5-7-12-21-13-15-22(16-14-21)19-25-26-23(24)18-17-20-10-8-6-9-11-20/h6,8-11,17-18,21-22H,2-5,7,12-16,19H2,1H3/b18-17+