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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=C(C3=CC=CC=C31)OCCC)C(=O)N(C2=O)C4=C(C=C(C=C4)CC(=O)O)Br

Isomeric SMILES

CCCOC1=C2C(=C(C3=CC=CC=C31)OCCC)C(=O)N(C2=O)C4=C(C=C(C=C4)CC(=O)O)Br

InChI

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