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

Systemtic Name: [(1E)-1-iodanyl-2-methyl-hexa-1,5-dien-3-yl] (E)-3-methoxy-4,4,6,8-tetramethyl-7-oxidanyl-5-oxidanylidene-tetradec-12-enoate Openeye Name: 1-[(E)-2-iodo-1-methyl-vinyl]but-3-enyl (E)-7-hydroxy-3-methoxy-4,4,6,8-tetramethyl-5-oxo-tetradec-12-enoate CAS Name: (E)-7-hydroxy-3-methoxy-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)-7-hydroxy-3-methoxy-4,4,6,8-tetramethyl-5-oxotetradec-12-enoate Traditional Name: (E)-7-hydroxy-5-keto-3-methoxy-4,4,6,8-tetramethyl-tetradec-12-enoic acid 1-[(E)-2-iodo-1-methyl-vinyl]but-3-enyl ester Formula: C26H43IO5 MolecularWeight: 562.52109

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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)O

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)O

InChI

InChI=1S/C26H43IO5/c1-9-11-12-13-15-18(3)24(29)20(5)25(30)26(6,7)22(31-8)16-23(28)32-21(14-10-2)19(4)17-27/h9-11,17-18,20-22,24,29H,2,12-16H2,1,3-8H3/b11-9+,19-17+