3-(3-iodanylbutyl)-4-[3-[2-(3-iodanylbutyl)-4-oxidanyl-phenyl]-1-adamantyl]phenol

Systemtic Name: 3-(3-iodanylbutyl)-4-[3-[2-(3-iodanylbutyl)-4-oxidanyl-phenyl]-1-adamantyl]phenol Openeye Name: 4-[3-[4-hydroxy-2-(3-iodobutyl)phenyl]-1-adamantyl]-3-(3-iodobutyl)phenol CAS Name: 4-[3-[4-hydroxy-2-(3-iodobutyl)phenyl]-1-adamantyl]-3-(3-iodobutyl)phenol IUPAC Name: 4-[3-[4-hydroxy-2-(3-iodobutyl)phenyl]-1-adamantyl]-3-(3-iodobutyl)phenol Traditional Name: 4-[3-[4-hydroxy-2-(3-iodobutyl)phenyl]-1-adamantyl]-3-(3-iodobutyl)phenol Formula: C30H38I2O2 MolecularWeight: 684.43046

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=CC(=C1)O)C23CC4CC(C2)CC(C4)(C3)C5=C(C=C(C=C5)O)CCC(C)I)I

Isomeric SMILES

CC(CCC1=C(C=CC(=C1)O)C23CC4CC(C2)CC(C4)(C3)C5=C(C=C(C=C5)O)CCC(C)I)I

InChI

InChI=1S/C30H38I2O2/c1-19(31)3-5-23-12-25(33)7-9-27(23)29-14-21-11-22(15-29)17-30(16-21,18-29)28-10-8-26(34)13-24(28)6-4-20(2)32/h7-10,12-13,19-22,33-34H,3-6,11,14-18H2,1-2H3