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

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-2-chloranyl-phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[3-(1-adamantyl)-4-benzyloxy-phenyl]-2-chloro-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-2-chlorophenyl]-2-propenoate IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-2-chlorophenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-benzoxy-phenyl]-2-chloro-phenyl]acrylate Formula: C32H30ClO3- MolecularWeight: 498.0318

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC(=C(C=C5)C=CC(=O)[O-])Cl)OCC6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C32H31ClO3/c33-29-16-27(7-6-25(29)9-11-31(34)35)26-8-10-30(36-20-21-4-2-1-3-5-21)28(15-26)32-17-22-12-23(18-32)14-24(13-22)19-32/h1-11,15-16,22-24H,12-14,17-20H2,(H,34,35)/p-1/b11-9+