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

Systemtic Name: 2-[2-[4-(4-heptoxyphenyl)phenyl]ethynyl]-6-pentyl-naphthalene Openeye Name: 2-[2-[4-(4-heptoxyphenyl)phenyl]ethynyl]-6-pentyl-naphthalene CAS Name: 2-[2-[4-(4-heptoxyphenyl)phenyl]ethynyl]-6-pentylnaphthalene IUPAC Name: 2-[2-[4-(4-heptoxyphenyl)phenyl]ethynyl]-6-pentylnaphthalene Traditional Name: 2-amyl-6-[2-[4-(4-heptoxyphenyl)phenyl]ethynyl]naphthalene Formula: C36H40O MolecularWeight: 488.7022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=C(C=C4)CCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=C(C=C4)CCCCC

InChI

InChI=1S/C36H40O/c1-3-5-7-8-10-26-37-36-24-22-33(23-25-36)32-18-14-29(15-19-32)12-13-31-17-21-34-27-30(11-9-6-4-2)16-20-35(34)28-31/h14-25,27-28H,3-11,26H2,1-2H3