4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3-chloranyl-benzaldehyde

Systemtic Name: 4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3-chloranyl-benzaldehyde Openeye Name: 4-[3-(1-adamantyl)-4-benzyloxy-phenyl]-3-chloro-benzaldehyde CAS Name: 4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-chlorobenzaldehyde IUPAC Name: 4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-chlorobenzaldehyde Traditional Name: 4-[3-(1-adamantyl)-4-benzoxy-phenyl]-3-chloro-benzaldehyde Formula: C30H29ClO2 MolecularWeight: 457.00306

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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=O)Cl)OCC6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C30H29ClO2/c31-28-13-21(18-32)6-8-26(28)25-7-9-29(33-19-20-4-2-1-3-5-20)27(14-25)30-15-22-10-23(16-30)12-24(11-22)17-30/h1-9,13-14,18,22-24H,10-12,15-17,19H2