1,2,3,4,5,6-hexakis[2-(4-nonylphenyl)ethynyl]benzene

Systemtic Name: 1,2,3,4,5,6-hexakis[2-(4-nonylphenyl)ethynyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[2-(4-nonylphenyl)ethynyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[2-(4-nonylphenyl)ethynyl]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[2-(4-nonylphenyl)ethynyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[2-(4-nonylphenyl)ethynyl]benzene Formula: C108H138 MolecularWeight: 1436.25132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C#CC2=C(C(=C(C(=C2C#CC3=CC=C(C=C3)CCCCCCCCC)C#CC4=CC=C(C=C4)CCCCCCCCC)C#CC5=CC=C(C=C5)CCCCCCCCC)C#CC6=CC=C(C=C6)CCCCCCCCC)C#CC7=CC=C(C=C7)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C#CC2=C(C(=C(C(=C2C#CC3=CC=C(C=C3)CCCCCCCCC)C#CC4=CC=C(C=C4)CCCCCCCCC)C#CC5=CC=C(C=C5)CCCCCCCCC)C#CC6=CC=C(C=C6)CCCCCCCCC)C#CC7=CC=C(C=C7)CCCCCCCCC

InChI

InChI=1S/C108H138/c1-7-13-19-25-31-37-43-49-91-55-67-97(68-56-91)79-85-103-104(86-80-98-69-57-92(58-70-98)50-44-38-32-26-20-14-8-2)106(88-82-100-73-61-94(62-74-100)52-46-40-34-28-22-16-10-4)108(90-84-102-77-65-96(66-78-102)54-48-42-36-30-24-18-12-6)107(89-83-101-75-63-95(64-76-101)53-47-41-35-29-23-17-11-5)105(103)87-81-99-71-59-93(60-72-99)51-45-39-33-27-21-15-9-3/h55-78H,7-54H2,1-6H3