9-[3-[2-(2-anthracen-9-ylethynyl)-4,5-dibutyl-phenyl]prop-1-ynyl]anthracene

Systemtic Name: 9-[3-[2-(2-anthracen-9-ylethynyl)-4,5-dibutyl-phenyl]prop-1-ynyl]anthracene Openeye Name: 9-[3-[2-[2-(9-anthryl)ethynyl]-4,5-dibutyl-phenyl]prop-1-ynyl]anthracene CAS Name: 9-[3-[2-[2-(9-anthracenyl)ethynyl]-4,5-dibutylphenyl]prop-1-ynyl]anthracene IUPAC Name: 9-[3-[2-(2-anthracen-9-ylethynyl)-4,5-dibutylphenyl]prop-1-ynyl]anthracene Traditional Name: 9-[3-[2-[2-(9-anthryl)ethynyl]-4,5-dibutyl-phenyl]prop-1-ynyl]anthracene Formula: C47H40 MolecularWeight: 604.8205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)CC#CC2=C3C=CC=CC3=CC4=CC=CC=C42)C#CC5=C6C=CC=CC6=CC7=CC=CC=C75)CCCC

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)CC#CC2=C3C=CC=CC3=CC4=CC=CC=C42)C#CC5=C6C=CC=CC6=CC7=CC=CC=C75)CCCC

InChI

InChI=1S/C47H40/c1-3-5-16-34-30-36(22-15-27-46-42-23-11-7-18-38(42)32-39-19-8-12-24-43(39)46)37(31-35(34)17-6-4-2)28-29-47-44-25-13-9-20-40(44)33-41-21-10-14-26-45(41)47/h7-14,18-21,23-26,30-33H,3-6,16-17,22H2,1-2H3