(E)-3-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]prop-2-enal

Systemtic Name: (E)-3-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]prop-2-enal Openeye Name: (E)-3-[3-(1-adamantyl)-4-benzyloxy-phenyl]prop-2-enal CAS Name: (E)-3-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-2-propenal IUPAC Name: (E)-3-[3-(1-adamantyl)-4-phenylmethoxyphenyl]prop-2-enal Traditional Name: (E)-3-[3-(1-adamantyl)-4-benzoxy-phenyl]acrolein Formula: C26H28O2 MolecularWeight: 372.49932

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C=CC=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)/C=C/C=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H28O2/c27-10-4-7-19-8-9-25(28-18-20-5-2-1-3-6-20)24(14-19)26-15-21-11-22(16-26)13-23(12-21)17-26/h1-10,14,21-23H,11-13,15-18H2/b7-4+