9,10-bis[4-azulen-6-yl-2-(2-azulen-6-ylethynyl)but-1-en-3-ynyl]anthracene

Systemtic Name: 9,10-bis[4-azulen-6-yl-2-(2-azulen-6-ylethynyl)but-1-en-3-ynyl]anthracene Openeye Name: 9,10-bis[4-azulen-6-yl-2-(2-azulen-6-ylethynyl)but-1-en-3-ynyl]anthracene CAS Name: 9,10-bis[4-(6-azulenyl)-2-[2-(6-azulenyl)ethynyl]but-1-en-3-ynyl]anthracene IUPAC Name: 9,10-bis[4-azulen-6-yl-2-(2-azulen-6-ylethynyl)but-1-en-3-ynyl]anthracene Traditional Name: 9,10-bis[4-azulen-6-yl-2-(2-azulen-6-ylethynyl)but-1-en-3-ynyl]anthracene Formula: C66H38 MolecularWeight: 831.00792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C=C(C#CC4=CC=C5C=CC=C5C=C4)C#CC6=CC=C7C=CC=C7C=C6)C=C(C#CC8=CC=C9C=CC=C9C=C8)C#CC1=CC=C2C=CC=C2C=C1

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C=C(C#CC4=CC=C5C=CC=C5C=C4)C#CC6=CC=C7C=CC=C7C=C6)C=C(C#CC8=CC=C9C=CC=C9C=C8)C#CC1=CC=C2C=CC=C2C=C1

InChI

InChI=1S/C66H38/c1-2-18-62-61(17-1)65(45-51(25-21-47-29-37-53-9-5-10-54(53)38-30-47)26-22-48-31-39-55-11-6-12-56(55)40-32-48)63-19-3-4-20-64(63)66(62)46-52(27-23-49-33-41-57-13-7-14-58(57)42-34-49)28-24-50-35-43-59-15-8-16-60(59)44-36-50/h1-20,29-46H