(E)-3-[4-[3-(2-adamantyl)-4-oxidanyl-phenyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[3-(2-adamantyl)-4-oxidanyl-phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-(2-adamantyl)-4-hydroxy-phenyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[3-(2-adamantyl)-4-hydroxyphenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[3-(2-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[3-(2-adamantyl)-4-hydroxy-phenyl]phenyl]acrylic acid Formula: C25H26O3 MolecularWeight: 374.47214

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4=C(C=CC(=C4)C5=CC=C(C=C5)C=CC(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4=C(C=CC(=C4)C5=CC=C(C=C5)/C=C/C(=O)O)O

InChI

InChI=1S/C25H26O3/c26-23-7-6-19(18-4-1-15(2-5-18)3-8-24(27)28)14-22(23)25-20-10-16-9-17(12-20)13-21(25)11-16/h1-8,14,16-17,20-21,25-26H,9-13H2,(H,27,28)/b8-3+