[(4S)-10-iodanyl-2-methyl-decan-4-yl] (2S)-2-acetyloxy-2-phenyl-ethanoate

Systemtic Name: [(4S)-10-iodanyl-2-methyl-decan-4-yl] (2S)-2-acetyloxy-2-phenyl-ethanoate Openeye Name: [(1S)-7-iodo-1-isobutyl-heptyl] (2S)-2-acetoxy-2-phenyl-acetate CAS Name: (2S)-2-acetyloxy-2-phenylacetic acid [(4S)-10-iodo-2-methyldecan-4-yl] ester IUPAC Name: [(4S)-10-iodo-2-methyldecan-4-yl] (2S)-2-acetyloxy-2-phenylacetate Traditional Name: (2S)-2-acetoxy-2-phenyl-acetic acid [(1S)-7-iodo-1-isobutyl-heptyl] ester Formula: C21H31IO4 MolecularWeight: 474.37291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCCCCCI)OC(=O)C(C1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CC(C)C[C@H](CCCCCCI)OC(=O)[C@H](C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C21H31IO4/c1-16(2)15-19(13-9-4-5-10-14-22)26-21(24)20(25-17(3)23)18-11-7-6-8-12-18/h6-8,11-12,16,19-20H,4-5,9-10,13-15H2,1-3H3/t19-,20-/m0/s1