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

Systemtic Name: (E)-3-[3-[3-(1-adamantyl)-4-oxidanyl-phenyl]-4-oxidanyl-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxy-phenyl]-4-hydroxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxyphenyl]-4-hydroxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxyphenyl]-4-hydroxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxy-phenyl]-4-hydroxy-phenyl]acrylate Formula: C25H25O4- MolecularWeight: 389.4636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26O4/c26-22-4-1-15(2-6-24(28)29)10-20(22)19-3-5-23(27)21(11-19)25-12-16-7-17(13-25)9-18(8-16)14-25/h1-6,10-11,16-18,26-27H,7-9,12-14H2,(H,28,29)/p-1/b6-2+