3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]prop-2-ynoic acid

Systemtic Name: 3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]prop-2-ynoic acid Openeye Name: 3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]prop-2-ynoic acid CAS Name: 3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]-2-propynoic acid IUPAC Name: 3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-ynoic acid Traditional Name: 3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]propiolic acid Formula: C25H24O3 MolecularWeight: 372.45626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24O3/c26-23-7-6-21(20-4-1-16(2-5-20)3-8-24(27)28)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-2,4-7,12,17-19,26H,9-11,13-15H2,(H,27,28)