2-oct-1-ynyl-4-pentoxy-1-(2-phenylethynyl)benzene

Systemtic Name: 2-oct-1-ynyl-4-pentoxy-1-(2-phenylethynyl)benzene Openeye Name: 2-oct-1-ynyl-4-pentoxy-1-(2-phenylethynyl)benzene CAS Name: 2-oct-1-ynyl-4-pentoxy-1-(2-phenylethynyl)benzene IUPAC Name: 2-oct-1-ynyl-4-pentoxy-1-(2-phenylethynyl)benzene Traditional Name: 4-amoxy-2-oct-1-ynyl-1-(2-phenylethynyl)benzene Formula: C27H32O MolecularWeight: 372.54238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=C(C=CC(=C1)OCCCCC)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCCCC#CC1=C(C=CC(=C1)OCCCCC)C#CC2=CC=CC=C2

InChI

InChI=1S/C27H32O/c1-3-5-7-8-9-13-17-26-23-27(28-22-14-6-4-2)21-20-25(26)19-18-24-15-11-10-12-16-24/h10-12,15-16,20-21,23H,3-9,14,22H2,1-2H3