2-[2-[4-(4-heptylphenyl)phenyl]ethynyl]-6-pentyl-naphthalene

Systemtic Name: 2-[2-[4-(4-heptylphenyl)phenyl]ethynyl]-6-pentyl-naphthalene Openeye Name: 2-[2-[4-(4-heptylphenyl)phenyl]ethynyl]-6-pentyl-naphthalene CAS Name: 2-[2-[4-(4-heptylphenyl)phenyl]ethynyl]-6-pentylnaphthalene IUPAC Name: 2-[2-[4-(4-heptylphenyl)phenyl]ethynyl]-6-pentylnaphthalene Traditional Name: 2-amyl-6-[2-[4-(4-heptylphenyl)phenyl]ethynyl]naphthalene Formula: C36H40 MolecularWeight: 472.7028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=C(C=C4)CCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=C(C=C4)CCCCC

InChI

InChI=1S/C36H40/c1-3-5-7-8-10-11-29-15-21-33(22-16-29)34-23-17-30(18-24-34)13-14-32-20-26-35-27-31(12-9-6-4-2)19-25-36(35)28-32/h15-28H,3-12H2,1-2H3