phenyl 2-ethyl-3-oxidanyl-heptanoate

Systemtic Name: phenyl 2-ethyl-3-oxidanyl-heptanoate Openeye Name: phenyl 2-ethyl-3-hydroxy-heptanoate CAS Name: 2-ethyl-3-hydroxyheptanoic acid phenyl ester IUPAC Name: phenyl 2-ethyl-3-hydroxyheptanoate Traditional Name: 2-ethyl-3-hydroxy-enanthic acid phenyl ester Formula: C15H22O3 MolecularWeight: 250.33338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3/c1-3-5-11-14(16)13(4-2)15(17)18-12-9-7-6-8-10-12/h6-10,13-14,16H,3-5,11H2,1-2H3