2,5-bis[bis(3,6-ditert-butylazulen-1-yl)methyl]thieno[3,2-b]thiophene

Systemtic Name: 2,5-bis[bis(3,6-ditert-butylazulen-1-yl)methyl]thieno[3,2-b]thiophene Openeye Name: 2,5-bis[bis(3,6-ditert-butylazulen-1-yl)methyl]thieno[3,2-b]thiophene CAS Name: 2,5-bis[bis(3,6-ditert-butyl-1-azulenyl)methyl]thieno[3,2-b]thiophene IUPAC Name: 2,5-bis[bis(3,6-ditert-butylazulen-1-yl)methyl]thieno[3,2-b]thiophene Traditional Name: 2,5-bis[bis(3,6-ditert-butylazulen-1-yl)methyl]thieno[3,2-b]thiophene Formula: C80H96S2 MolecularWeight: 1121.74824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(C3=CC4=C(S3)C=C(S4)C(C5=C6C=CC(=CC=C6C(=C5)C(C)(C)C)C(C)(C)C)C7=C8C=CC(=CC=C8C(=C7)C(C)(C)C)C(C)(C)C)C9=C2C=CC(=CC=C2C(=C9)C(C)(C)C)C(C)(C)C)C=C1

Isomeric SMILES

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(C3=CC4=C(S3)C=C(S4)C(C5=C6C=CC(=CC=C6C(=C5)C(C)(C)C)C(C)(C)C)C7=C8C=CC(=CC=C8C(=C7)C(C)(C)C)C(C)(C)C)C9=C2C=CC(=CC=C2C(=C9)C(C)(C)C)C(C)(C)C)C=C1

InChI

InChI=1S/C80H96S2/c1-73(2,3)47-25-33-51-55(37-29-47)63(77(13,14)15)41-59(51)71(60-42-64(78(16,17)18)56-38-30-48(74(4,5)6)26-34-52(56)60)69-45-67-68(81-69)46-70(82-67)72(61-43-65(79(19,20)21)57-39-31-49(75(7,8)9)27-35-53(57)61)62-44-66(80(22,23)24)58-40-32-50(76(10,11)12)28-36-54(58)62/h25-46,71-72H,1-24H3