(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl) 2-acetyloxyoctanoate

Systemtic Name: (7-oxidanylidenecyclohepta-1,3,5-trien-1-yl) 2-acetyloxyoctanoate Openeye Name: (7-oxocyclohepta-1,3,5-trien-1-yl) 2-acetoxyoctanoate CAS Name: 2-acetyloxyoctanoic acid (7-oxo-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: (7-oxocyclohepta-1,3,5-trien-1-yl) 2-acetyloxyoctanoate Traditional Name: 2-acetoxycaprylic acid (7-ketocyclohepta-1,3,5-trien-1-yl) ester Formula: C17H22O5 MolecularWeight: 306.35358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC1=CC=CC=CC1=O)OC(=O)C

Isomeric SMILES

CCCCCCC(C(=O)OC1=CC=CC=CC1=O)OC(=O)C

InChI

InChI=1S/C17H22O5/c1-3-4-5-8-12-16(21-13(2)18)17(20)22-15-11-9-6-7-10-14(15)19/h6-7,9-11,16H,3-5,8,12H2,1-2H3