4-[3-(1-adamantyl)-4-oxidanyl-phenyl]benzoic acid

Systemtic Name: 4-[3-(1-adamantyl)-4-oxidanyl-phenyl]benzoic acid Openeye Name: 4-[3-(1-adamantyl)-4-hydroxy-phenyl]benzoic acid CAS Name: 4-[3-(1-adamantyl)-4-hydroxyphenyl]benzoic acid IUPAC Name: 4-[3-(1-adamantyl)-4-hydroxyphenyl]benzoic acid Traditional Name: 4-[3-(1-adamantyl)-4-hydroxy-phenyl]benzoic acid Formula: C23H24O3 MolecularWeight: 348.43486

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)C(=O)O)O

InChI

InChI=1S/C23H24O3/c24-21-6-5-19(17-1-3-18(4-2-17)22(25)26)10-20(21)23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16,24H,7-9,11-13H2,(H,25,26)