1-[5-(2-chloranyl-4-ethynyl-phenyl)-2-phenylmethoxy-phenyl]adamantane

Systemtic Name: 1-[5-(2-chloranyl-4-ethynyl-phenyl)-2-phenylmethoxy-phenyl]adamantane Openeye Name: 1-[2-benzyloxy-5-(2-chloro-4-ethynyl-phenyl)phenyl]adamantane CAS Name: 1-[5-(2-chloro-4-ethynylphenyl)-2-phenylmethoxyphenyl]adamantane IUPAC Name: 1-[5-(2-chloro-4-ethynylphenyl)-2-phenylmethoxyphenyl]adamantane Traditional Name: 1-[2-benzoxy-5-(2-chloro-4-ethynyl-phenyl)phenyl]adamantane Formula: C31H29ClO MolecularWeight: 453.01436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

C#CC1=CC(=C(C=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C31H29ClO/c1-2-21-8-10-27(29(32)15-21)26-9-11-30(33-20-22-6-4-3-5-7-22)28(16-26)31-17-23-12-24(18-31)14-25(13-23)19-31/h1,3-11,15-16,23-25H,12-14,17-20H2