2-[2-(4-butylphenyl)ethynyl]-6-heptyl-naphthalene

Systemtic Name: 2-[2-(4-butylphenyl)ethynyl]-6-heptyl-naphthalene Openeye Name: 2-[2-(4-butylphenyl)ethynyl]-6-heptyl-naphthalene CAS Name: 2-[2-(4-butylphenyl)ethynyl]-6-heptylnaphthalene IUPAC Name: 2-[2-(4-butylphenyl)ethynyl]-6-heptylnaphthalene Traditional Name: 2-[2-(4-butylphenyl)ethynyl]-6-heptyl-naphthalene Formula: C29H34 MolecularWeight: 382.58026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C=C1)C=C(C=C2)C#CC3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCC1=CC2=C(C=C1)C=C(C=C2)C#CC3=CC=C(C=C3)CCCC

InChI

InChI=1S/C29H34/c1-3-5-7-8-9-11-26-18-20-29-23-27(19-21-28(29)22-26)17-16-25-14-12-24(13-15-25)10-6-4-2/h12-15,18-23H,3-11H2,1-2H3