2-[4-[1,3-bis(oxidanylidene)-4,9-di(propan-2-yloxy)benzo[f]isoindol-2-yl]-3-bromanyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)-4,9-di(propan-2-yloxy)benzo[f]isoindol-2-yl]-3-bromanyl-phenyl]ethanoic acid Openeye Name: 2-[3-bromo-4-(4,9-diisopropoxy-1,3-dioxo-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[3-bromo-4-[1,3-dioxo-4,9-di(propan-2-yloxy)-2-benzo[f]isoindolyl]phenyl]acetic acid IUPAC Name: 2-[3-bromo-4-[1,3-dioxo-4,9-di(propan-2-yloxy)benzo[f]isoindol-2-yl]phenyl]acetic acid Traditional Name: 2-[3-bromo-4-(4,9-diisopropoxy-1,3-diketo-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C26H24BrNO6 MolecularWeight: 526.37586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C2C(=C(C3=CC=CC=C31)OC(C)C)C(=O)N(C2=O)C4=C(C=C(C=C4)CC(=O)O)Br

Isomeric SMILES

CC(C)OC1=C2C(=C(C3=CC=CC=C31)OC(C)C)C(=O)N(C2=O)C4=C(C=C(C=C4)CC(=O)O)Br

InChI

InChI=1S/C26H24BrNO6/c1-13(2)33-23-16-7-5-6-8-17(16)24(34-14(3)4)22-21(23)25(31)28(26(22)32)19-10-9-15(11-18(19)27)12-20(29)30/h5-11,13-14H,12H2,1-4H3,(H,29,30)