[1-bromanyl-3-(4-octylphenoxy)propan-2-yl] ethanoate

Systemtic Name: [1-bromanyl-3-(4-octylphenoxy)propan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-2-(4-octylphenoxy)ethyl] acetate CAS Name: acetic acid [1-bromo-3-(4-octylphenoxy)propan-2-yl] ester IUPAC Name: [1-bromo-3-(4-octylphenoxy)propan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-2-(4-octylphenoxy)ethyl] ester Formula: C19H29BrO3 MolecularWeight: 385.33576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(CBr)OC(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(CBr)OC(=O)C

InChI

InChI=1S/C19H29BrO3/c1-3-4-5-6-7-8-9-17-10-12-18(13-11-17)22-15-19(14-20)23-16(2)21/h10-13,19H,3-9,14-15H2,1-2H3