2-[4-(4,9-dihexoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(4,9-dihexoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4,9-dihexoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(4,9-dihexoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(4,9-dihexoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(4,9-dihexoxy-3-keto-1H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C32H39NO5 MolecularWeight: 517.65576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCCCCCC)C4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCCCCCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCCCCCC)C4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C32H39NO5/c1-3-5-7-11-19-37-30-25-13-9-10-14-26(25)31(38-20-12-8-6-4-2)29-27(30)22-33(32(29)36)24-17-15-23(16-18-24)21-28(34)35/h9-10,13-18H,3-8,11-12,19-22H2,1-2H3,(H,34,35)