1-phenethyl-3-(4-phenylbut-1-ynyl)-5-(6-phenylhexa-1,3-diynyl)benzene

Systemtic Name: 1-phenethyl-3-(4-phenylbut-1-ynyl)-5-(6-phenylhexa-1,3-diynyl)benzene Openeye Name: 1-phenethyl-3-(4-phenylbut-1-ynyl)-5-(6-phenylhexa-1,3-diynyl)benzene CAS Name: 1-phenethyl-3-(4-phenylbut-1-ynyl)-5-(6-phenylhexa-1,3-diynyl)benzene IUPAC Name: 1-phenethyl-3-(4-phenylbut-1-ynyl)-5-(6-phenylhexa-1,3-diynyl)benzene Traditional Name: 1-phenethyl-3-(4-phenylbut-1-ynyl)-5-(6-phenylhexa-1,3-diynyl)benzene Formula: C36H30 MolecularWeight: 462.6234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC#CC#CC2=CC(=CC(=C2)CCC3=CC=CC=C3)C#CCCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC#CC#CC2=CC(=CC(=C2)CCC3=CC=CC=C3)C#CCCC4=CC=CC=C4

InChI

InChI=1S/C36H30/c1(6-16-31-17-8-3-9-18-31)2-7-24-34-28-35(25-15-14-23-32-19-10-4-11-20-32)30-36(29-34)27-26-33-21-12-5-13-22-33/h3-5,8-13,17-22,28-30H,6,14,16,23,26-27H2