2-[2-[4-(4-heptylcyclohexyl)phenyl]ethynyl]-6-octyl-naphthalene

Systemtic Name: 2-[2-[4-(4-heptylcyclohexyl)phenyl]ethynyl]-6-octyl-naphthalene Openeye Name: 2-[2-[4-(4-heptylcyclohexyl)phenyl]ethynyl]-6-octyl-naphthalene CAS Name: 2-[2-[4-(4-heptylcyclohexyl)phenyl]ethynyl]-6-octylnaphthalene IUPAC Name: 2-[2-[4-(4-heptylcyclohexyl)phenyl]ethynyl]-6-octylnaphthalene Traditional Name: 2-[2-[4-(4-heptylcyclohexyl)phenyl]ethynyl]-6-octyl-naphthalene Formula: C39H52 MolecularWeight: 520.83018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)C=C(C=C2)C#CC3=CC=C(C=C3)C4CCC(CC4)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)C=C(C=C2)C#CC3=CC=C(C=C3)C4CCC(CC4)CCCCCCC

InChI

InChI=1S/C39H52/c1-3-5-7-9-11-13-15-34-22-28-39-31-35(23-29-38(39)30-34)17-16-33-20-26-37(27-21-33)36-24-18-32(19-25-36)14-12-10-8-6-4-2/h20-23,26-32,36H,3-15,18-19,24-25H2,1-2H3