O1,O2-ditert-butyl O3-[(E)-4-iodanylbut-3-enyl] (3S)-1,2-diazinane-1,2,3-tricarboxylate

Systemtic Name: O1,O2-ditert-butyl O3-[(E)-4-iodanylbut-3-enyl] (3S)-1,2-diazinane-1,2,3-tricarboxylate Openeye Name: O1,O2-ditert-butyl O3-[(E)-4-iodobut-3-enyl] (3S)-hexahydropyridazine-1,2,3-tricarboxylate CAS Name: (3S)-diazinane-1,2,3-tricarboxylic acid O1,O2-ditert-butyl ester O3-[(E)-4-iodobut-3-enyl] ester IUPAC Name: 1-O,2-O-ditert-butyl 3-O-[(E)-4-iodobut-3-enyl] (3S)-diazinane-1,2,3-tricarboxylate Traditional Name: (3S)-hexahydropyridazine-1,2,3-tricarboxylic acid O1,O2-ditert-butyl ester O3-[(E)-4-iodobut-3-enyl] ester Formula: C19H31IN2O6 MolecularWeight: 510.36371

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(N1C(=O)OC(C)(C)C)C(=O)OCCC=CI

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H](N1C(=O)OC(C)(C)C)C(=O)OCC/C=C/I

InChI

InChI=1S/C19H31IN2O6/c1-18(2,3)27-16(24)21-12-9-10-14(15(23)26-13-8-7-11-20)22(21)17(25)28-19(4,5)6/h7,11,14H,8-10,12-13H2,1-6H3/b11-7+/t14-/m0/s1