3-[4-(4-iodophenyl)phenyl]adamantane-1-carboxylic acid

Systemtic Name: 3-[4-(4-iodophenyl)phenyl]adamantane-1-carboxylic acid Openeye Name: 3-[4-(4-iodophenyl)phenyl]adamantane-1-carboxylic acid CAS Name: 3-[4-(4-iodophenyl)phenyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[4-(4-iodophenyl)phenyl]adamantane-1-carboxylic acid Traditional Name: 3-[4-(4-iodophenyl)phenyl]adamantane-1-carboxylic acid Formula: C23H23IO2 MolecularWeight: 458.33199

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)C5=CC=C(C=C5)I

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)C5=CC=C(C=C5)I

InChI

InChI=1S/C23H23IO2/c24-20-7-3-18(4-8-20)17-1-5-19(6-2-17)22-10-15-9-16(11-22)13-23(12-15,14-22)21(25)26/h1-8,15-16H,9-14H2,(H,25,26)