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

Systemtic Name: (E)-4-[4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3-chloranyl-phenyl]-2-oxidanylidene-but-3-enal Openeye Name: (E)-4-[4-[3-(1-adamantyl)-4-benzyloxy-phenyl]-3-chloro-phenyl]-2-oxo-but-3-enal CAS Name: (E)-4-[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-chlorophenyl]-2-oxo-3-butenal IUPAC Name: (E)-4-[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-chlorophenyl]-2-oxobut-3-enal Traditional Name: (E)-4-[4-[3-(1-adamantyl)-4-benzoxy-phenyl]-3-chloro-phenyl]-2-keto-but-3-enal Formula: C33H31ClO3 MolecularWeight: 511.05044

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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)OCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=C(C=C(C=C5)/C=C/C(=O)C=O)Cl)OCC6=CC=CC=C6

InChI

InChI=1S/C33H31ClO3/c34-31-15-22(6-9-28(36)20-35)7-10-29(31)27-8-11-32(37-21-23-4-2-1-3-5-23)30(16-27)33-17-24-12-25(18-33)14-26(13-24)19-33/h1-11,15-16,20,24-26H,12-14,17-19,21H2/b9-6+