(1E,3R,4R,5E)-8-(1-adamantyl)-1-iodanyl-3,5-dimethyl-octa-1,5-dien-4-ol

Systemtic Name: (1E,3R,4R,5E)-8-(1-adamantyl)-1-iodanyl-3,5-dimethyl-octa-1,5-dien-4-ol Openeye Name: (1E,3R,4R,5E)-8-(1-adamantyl)-1-iodo-3,5-dimethyl-octa-1,5-dien-4-ol CAS Name: (1E,3R,4R,5E)-8-(1-adamantyl)-1-iodo-3,5-dimethyl-4-octa-1,5-dienol IUPAC Name: (1E,3R,4R,5E)-8-(1-adamantyl)-1-iodo-3,5-dimethylocta-1,5-dien-4-ol Traditional Name: (1E,3R,4R,5E)-8-(1-adamantyl)-1-iodo-3,5-dimethyl-octa-1,5-dien-4-ol Formula: C20H31IO MolecularWeight: 414.36401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CI)C(C(=CCCC12CC3CC(C1)CC(C3)C2)C)O

Isomeric SMILES

C[C@H](/C=C/I)[C@H](/C(=C/CCC12CC3CC(C1)CC(C3)C2)/C)O

InChI

InChI=1S/C20H31IO/c1-14(19(22)15(2)5-7-21)4-3-6-20-11-16-8-17(12-20)10-18(9-16)13-20/h4-5,7,15-19,22H,3,6,8-13H2,1-2H3/b7-5+,14-4+/t15-,16?,17?,18?,19+,20?/m1/s1