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

Systemtic Name: 2-[2-(4-butoxyphenyl)ethynyl]-6-heptyl-naphthalene Openeye Name: 2-[2-(4-butoxyphenyl)ethynyl]-6-heptyl-naphthalene CAS Name: 2-[2-(4-butoxyphenyl)ethynyl]-6-heptylnaphthalene IUPAC Name: 2-[2-(4-butoxyphenyl)ethynyl]-6-heptylnaphthalene Traditional Name: 2-[2-(4-butoxyphenyl)ethynyl]-6-heptyl-naphthalene Formula: C29H34O MolecularWeight: 398.57966

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H34O/c1-3-5-7-8-9-10-25-13-17-28-23-26(14-18-27(28)22-25)12-11-24-15-19-29(20-16-24)30-21-6-4-2/h13-20,22-23H,3-10,21H2,1-2H3