(6-butanoyloxy-8-chloranyl-3,4-dihydro-2H-benzo[h][1,5]benzodioxepin-11-yl) butanoate

Systemtic Name: (6-butanoyloxy-8-chloranyl-3,4-dihydro-2H-benzo[h][1,5]benzodioxepin-11-yl) butanoate Openeye Name: (6-butanoyloxy-8-chloro-3,4-dihydro-2H-benzo[h][1,5]benzodioxepin-11-yl) butanoate CAS Name: butanoic acid [8-chloro-6-(1-oxobutoxy)-3,4-dihydro-2H-benzo[h][1,5]benzodioxepin-11-yl] ester IUPAC Name: (6-butanoyloxy-8-chloro-3,4-dihydro-2H-benzo[h][1,5]benzodioxepin-11-yl) butanoate Traditional Name: butyric acid (6-butyryloxy-8-chloro-3,4-dihydro-2H-benzo[h][1,5]benzodioxepin-11-yl) ester Formula: C21H23ClO6 MolecularWeight: 406.85672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C2C(=C(C3=C1C=CC(=C3)Cl)OC(=O)CCC)OCCCO2

Isomeric SMILES

CCCC(=O)OC1=C2C(=C(C3=C1C=CC(=C3)Cl)OC(=O)CCC)OCCCO2

InChI

InChI=1S/C21H23ClO6/c1-3-6-16(23)27-18-14-9-8-13(22)12-15(14)19(28-17(24)7-4-2)21-20(18)25-10-5-11-26-21/h8-9,12H,3-7,10-11H2,1-2H3