O1-tert-butyl O2-[(E,5S)-12-iodanyldodec-11-en-5-yl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[(E,5S)-12-iodanyldodec-11-en-5-yl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[(E,1S)-1-butyl-8-iodo-oct-7-enyl] (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[(E,5S)-12-iodododec-11-en-5-yl] ester IUPAC Name: 1-O-tert-butyl 2-O-[(E,5S)-12-iodododec-11-en-5-yl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[(E,1S)-1-butyl-8-iodo-oct-7-enyl] ester Formula: C22H38INO4 MolecularWeight: 507.44589

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCC=CI)OC(=O)C1CCCN1C(=O)OC(C)(C)C

Isomeric SMILES

CCCC[C@@H](CCCCC/C=C/I)OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

InChI

InChI=1S/C22H38INO4/c1-5-6-13-18(14-10-8-7-9-11-16-23)27-20(25)19-15-12-17-24(19)21(26)28-22(2,3)4/h11,16,18-19H,5-10,12-15,17H2,1-4H3/b16-11+/t18-,19-/m0/s1