phenoxycarbonyl 2-ethylhexanoate

Systemtic Name: phenoxycarbonyl 2-ethylhexanoate Openeye Name: phenoxycarbonyl 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [oxo(phenoxy)methyl] ester IUPAC Name: phenoxycarbonyl 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid carbophenoxy ester Formula: C15H20O4 MolecularWeight: 264.3169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCC(CC)C(=O)OC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C15H20O4/c1-3-5-9-12(4-2)14(16)19-15(17)18-13-10-7-6-8-11-13/h6-8,10-12H,3-5,9H2,1-2H3