[4,10-bis(bromanyl)-9-carboxyoxy-perylen-3-yl] 2-methylpropyl carbonate

Systemtic Name: [4,10-bis(bromanyl)-9-carboxyoxy-perylen-3-yl] 2-methylpropyl carbonate Openeye Name: (4,10-dibromo-9-carboxyoxy-perylen-3-yl) isobutyl carbonate CAS Name: carbonic acid (4,10-dibromo-9-carboxyoxy-3-perylenyl) 2-methylpropyl ester IUPAC Name: (4,10-dibromo-9-carboxyoxyperylen-3-yl) 2-methylpropyl carbonate Traditional Name: carbonic acid (4,10-dibromo-9-carboxyoxy-perylen-3-yl) isobutyl ester Formula: C26H18Br2O6 MolecularWeight: 586.22552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)OC1=C2C(=CC=C3C2=C(C=C1)C4=CC=C(C5=C(C=CC3=C45)OC(=O)O)Br)Br

Isomeric SMILES

CC(C)COC(=O)OC1=C2C(=CC=C3C2=C(C=C1)C4=CC=C(C5=C(C=CC3=C45)OC(=O)O)Br)Br

InChI

InChI=1S/C26H18Br2O6/c1-12(2)11-32-26(31)34-20-10-6-16-13-3-7-17(27)23-19(33-25(29)30)9-5-15(21(13)23)14-4-8-18(28)24(20)22(14)16/h3-10,12H,11H2,1-2H3,(H,29,30)