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

Systemtic Name: (E)-3-[4-[4-(1-adamantyl)-3-oxidanyl-phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[4-(1-adamantyl)-3-hydroxy-phenyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[4-(1-adamantyl)-3-hydroxyphenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[4-(1-adamantyl)-3-hydroxyphenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[4-(1-adamantyl)-3-hydroxy-phenyl]phenyl]acrylic acid Formula: C25H26O3 MolecularWeight: 374.47214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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