(E)-3-[4-[3-(1-adamantyl)-5-methanoyl-4-oxidanyl-phenyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-5-methanoyl-4-oxidanyl-phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-(1-adamantyl)-5-formyl-4-hydroxy-phenyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[3-(1-adamantyl)-5-formyl-4-hydroxyphenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-5-formyl-4-hydroxyphenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[3-(1-adamantyl)-5-formyl-4-hydroxy-phenyl]phenyl]acrylic acid Formula: C26H26O4 MolecularWeight: 402.48224

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=CC(=C4O)C=O)C5=CC=C(C=C5)C=CC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=CC(=C4O)C=O)C5=CC=C(C=C5)/C=C/C(=O)O

InChI

InChI=1S/C26H26O4/c27-15-22-10-21(20-4-1-16(2-5-20)3-6-24(28)29)11-23(25(22)30)26-12-17-7-18(13-26)9-19(8-17)14-26/h1-6,10-11,15,17-19,30H,7-9,12-14H2,(H,28,29)/b6-3+