O6,O6-ditert-butyl O1-methyl (3E,8E)-9-iodanylnona-3,8-diene-1,6,6-tricarboxylate

Systemtic Name: O6,O6-ditert-butyl O1-methyl (3E,8E)-9-iodanylnona-3,8-diene-1,6,6-tricarboxylate Openeye Name: O6,O6-ditert-butyl O1-methyl (3E,8E)-9-iodonona-3,8-diene-1,6,6-tricarboxylate CAS Name: (3E,8E)-9-iodonona-3,8-diene-1,6,6-tricarboxylic acid O6,O6-ditert-butyl ester O1-methyl ester IUPAC Name: 6-O,6-O-ditert-butyl 1-O-methyl (3E,8E)-9-iodonona-3,8-diene-1,6,6-tricarboxylate Traditional Name: (3E,8E)-9-iodonona-3,8-diene-1,6,6-tricarboxylic acid O6,O6-ditert-butyl ester O1-methyl ester Formula: C21H33IO6 MolecularWeight: 508.38759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC=CCCC(=O)OC)(CC=CI)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C/C=C/CCC(=O)OC)(C/C=C/I)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33IO6/c1-19(2,3)27-17(24)21(14-11-15-22,18(25)28-20(4,5)6)13-10-8-9-12-16(23)26-7/h8,10-11,15H,9,12-14H2,1-7H3/b10-8+,15-11+