[(1E)-1-iodanyl-2-methyl-hexa-1,5-dien-3-yl] (E)-3,7-dimethoxy-4,4,6,8-tetramethyl-5-oxidanylidene-tetradec-12-enoate

Systemtic Name: [(1E)-1-iodanyl-2-methyl-hexa-1,5-dien-3-yl] (E)-3,7-dimethoxy-4,4,6,8-tetramethyl-5-oxidanylidene-tetradec-12-enoate Openeye Name: 1-[(E)-2-iodo-1-methyl-vinyl]but-3-enyl (E)-3,7-dimethoxy-4,4,6,8-tetramethyl-5-oxo-tetradec-12-enoate CAS Name: (E)-3,7-dimethoxy-4,4,6,8-tetramethyl-5-oxo-12-tetradecenoic acid [(1E)-1-iodo-2-methylhexa-1,5-dien-3-yl] ester IUPAC Name: [(1E)-1-iodo-2-methylhexa-1,5-dien-3-yl] (E)-3,7-dimethoxy-4,4,6,8-tetramethyl-5-oxotetradec-12-enoate Traditional Name: (E)-5-keto-3,7-dimethoxy-4,4,6,8-tetramethyl-tetradec-12-enoic acid 1-[(E)-2-iodo-1-methyl-vinyl]but-3-enyl ester Formula: C27H45IO5 MolecularWeight: 576.54767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45IO5/c1-10-12-13-14-16-19(3)25(32-9)21(5)26(30)27(6,7)23(31-8)17-24(29)33-22(15-11-2)20(4)18-28/h10-12,18-19,21-23,25H,2,13-17H2,1,3-9H3/b12-10+,20-18+