2-[(3E)-2-iodanyl-6-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindol-5-yl]phenol

Systemtic Name: 2-[(3E)-2-iodanyl-6-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindol-5-yl]phenol Openeye Name: 2-[(3E)-6-benzyl-3-benzylidene-2-iodo-isoindolin-5-yl]phenol CAS Name: 2-[(3E)-2-iodo-6-(phenylmethyl)-3-(phenylmethylene)-1H-isoindol-5-yl]phenol IUPAC Name: 2-[(3E)-6-benzyl-3-benzylidene-2-iodo-1H-isoindol-5-yl]phenol Traditional Name: 2-[(3E)-3-benzal-6-benzyl-2-iodo-isoindolin-5-yl]phenol Formula: C28H22INO MolecularWeight: 515.38485

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C(=C2)CC3=CC=CC=C3)C4=CC=CC=C4O)C(=CC5=CC=CC=C5)N1I

Isomeric SMILES

C1C2=C(C=C(C(=C2)CC3=CC=CC=C3)C4=CC=CC=C4O)/C(=C\C5=CC=CC=C5)/N1I

InChI

InChI=1S/C28H22INO/c29-30-19-23-17-22(15-20-9-3-1-4-10-20)25(24-13-7-8-14-28(24)31)18-26(23)27(30)16-21-11-5-2-6-12-21/h1-14,16-18,31H,15,19H2/b27-16+