2-(diphenylmethyl)-3-iodanyl-2-methyl-5,6-bis(oxidanyl)-3H-isoindol-2-ium-1-one

Systemtic Name: 2-(diphenylmethyl)-3-iodanyl-2-methyl-5,6-bis(oxidanyl)-3H-isoindol-2-ium-1-one Openeye Name: 2-benzhydryl-5,6-dihydroxy-3-iodo-2-methyl-isoindolin-2-ium-1-one CAS Name: 2-(diphenylmethyl)-5,6-dihydroxy-3-iodo-2-methyl-3H-isoindol-2-ium-1-one IUPAC Name: 2-benzhydryl-5,6-dihydroxy-3-iodo-2-methyl-3H-isoindol-2-ium-1-one Traditional Name: 2-benzhydryl-5,6-dihydroxy-3-iodo-2-methyl-isoindolin-2-ium-1-one Formula: C22H19INO3+ MolecularWeight: 472.29563

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(C2=CC(=C(C=C2C1=O)O)O)I)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[N+]1(C(C2=CC(=C(C=C2C1=O)O)O)I)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18INO3/c1-24(21(23)16-12-18(25)19(26)13-17(16)22(24)27)20(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,20-21H,1H3,(H-,25,26,27)/p+1