(E)-4-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-chloranyl-phenyl]-2-oxidanylidene-but-3-enal

Systemtic Name: (E)-4-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-chloranyl-phenyl]-2-oxidanylidene-but-3-enal Openeye Name: (E)-4-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-chloro-phenyl]-2-oxo-but-3-enal CAS Name: (E)-4-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3-chlorophenyl]-2-oxo-3-butenal IUPAC Name: (E)-4-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3-chlorophenyl]-2-oxobut-3-enal Traditional Name: (E)-4-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-chloro-phenyl]-2-keto-but-3-enal Formula: C26H25ClO3 MolecularWeight: 420.9279

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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)C=O)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClO3/c27-24-10-16(1-4-21(29)15-28)2-5-22(24)20-3-6-25(30)23(11-20)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/b4-1+