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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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