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

Systemtic Name: (E)-3-[3-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]prop-2-enoate Openeye Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]prop-2-enoate CAS Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]acrylate Formula: C25H25O3- MolecularWeight: 373.4642

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC(=CC=C5)C=CC(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C25H26O3/c26-23-6-5-21(20-3-1-2-16(11-20)4-7-24(27)28)12-22(23)25-13-17-8-18(14-25)10-19(9-17)15-25/h1-7,11-12,17-19,26H,8-10,13-15H2,(H,27,28)/p-1/b7-4+