4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzaldehyde

Systemtic Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzaldehyde Openeye Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzaldehyde CAS Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzaldehyde IUPAC Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzaldehyde Traditional Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzaldehyde Formula: C29H32O4 MolecularWeight: 444.56198

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(OC)OCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H32O4/c1-20(31-2)32-19-33-28-10-9-22(6-3-21-4-7-23(18-30)8-5-21)14-27(28)29-15-24-11-25(16-29)13-26(12-24)17-29/h4-5,7-10,14,18,20,24-26H,11-13,15-17,19H2,1-2H3