(phenylmethyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-iodanyl-hexanoate

Systemtic Name: (phenylmethyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-iodanyl-hexanoate Openeye Name: benzyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-6-iodo-hexanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-6-iodohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(1,3-dioxoisoindol-2-yl)-6-iodohexanoate Traditional Name: (2S)-6-iodo-2-phthalimido-hexanoic acid benzyl ester Formula: C21H20INO4 MolecularWeight: 477.29227

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCCI)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CCCCI)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20INO4/c22-13-7-6-12-18(21(26)27-14-15-8-2-1-3-9-15)23-19(24)16-10-4-5-11-17(16)20(23)25/h1-5,8-11,18H,6-7,12-14H2/t18-/m0/s1