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

Systemtic Name: 2-[2-[4-(4-heptoxyphenyl)phenyl]ethynyl]-6-pentoxy-naphthalene Openeye Name: 2-[2-[4-(4-heptoxyphenyl)phenyl]ethynyl]-6-pentoxy-naphthalene CAS Name: 2-[2-[4-(4-heptoxyphenyl)phenyl]ethynyl]-6-pentoxynaphthalene IUPAC Name: 2-[2-[4-(4-heptoxyphenyl)phenyl]ethynyl]-6-pentoxynaphthalene Traditional Name: 2-amoxy-6-[2-[4-(4-heptoxyphenyl)phenyl]ethynyl]naphthalene Formula: C36H40O2 MolecularWeight: 504.7016

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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)OCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C36H40O2/c1-3-5-7-8-10-26-37-35-22-19-32(20-23-35)31-16-13-29(14-17-31)11-12-30-15-18-34-28-36(24-21-33(34)27-30)38-25-9-6-4-2/h13-24,27-28H,3-10,25-26H2,1-2H3