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

Systemtic Name: 4-[3-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]benzoic acid Openeye Name: 4-[3-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]benzoic acid CAS Name: 4-[3-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]benzoic acid IUPAC Name: 4-[3-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]benzoic acid Traditional Name: 4-[3-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]benzoic acid Formula: C29H28O3 MolecularWeight: 424.53082

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=CC(=C5)C6=CC=C(C=C6)C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=CC(=C5)C6=CC=C(C=C6)C(=O)O)O

InChI

InChI=1S/C29H28O3/c30-27-9-8-25(14-26(27)29-15-18-10-19(16-29)12-20(11-18)17-29)24-3-1-2-23(13-24)21-4-6-22(7-5-21)28(31)32/h1-9,13-14,18-20,30H,10-12,15-17H2,(H,31,32)