iodanylmethane; octan-3-yl 2-phenylethanoate

Systemtic Name: iodanylmethane; octan-3-yl 2-phenylethanoate Openeye Name: 1-ethylhexyl 2-phenylacetate; iodomethane CAS Name: iodomethane; 2-phenylacetic acid octan-3-yl ester IUPAC Name: iodomethane; octan-3-yl 2-phenylacetate Traditional Name: iodomethane; 2-phenylacetic acid 1-ethylhexyl ester Formula: C17H27IO2 MolecularWeight: 390.29955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)CC1=CC=CC=C1.CI

Isomeric SMILES

CCCCCC(CC)OC(=O)CC1=CC=CC=C1.CI

InChI

InChI=1S/C16H24O2.CH3I/c1-3-5-7-12-15(4-2)18-16(17)13-14-10-8-6-9-11-14;1-2/h6,8-11,15H,3-5,7,12-13H2,1-2H3;1H3