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

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3-chloranyl-phenyl]prop-2-enal Openeye Name: (E)-3-[4-[3-(1-adamantyl)-4-benzyloxy-phenyl]-3-chloro-phenyl]prop-2-enal CAS Name: (E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-chlorophenyl]-2-propenal IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-chlorophenyl]prop-2-enal Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-benzoxy-phenyl]-3-chloro-phenyl]acrolein Formula: C32H31ClO2 MolecularWeight: 483.04034

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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)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)Cl)OCC6=CC=CC=C6

InChI

InChI=1S/C32H31ClO2/c33-30-16-22(7-4-12-34)8-10-28(30)27-9-11-31(35-21-23-5-2-1-3-6-23)29(17-27)32-18-24-13-25(19-32)15-26(14-24)20-32/h1-12,16-17,24-26H,13-15,18-21H2/b7-4+