1-[bis(3,6-ditert-butylazulen-1-yl)methyl]-3,6-ditert-butyl-azulene

Systemtic Name: 1-[bis(3,6-ditert-butylazulen-1-yl)methyl]-3,6-ditert-butyl-azulene Openeye Name: 1-[bis(3,6-ditert-butylazulen-1-yl)methyl]-3,6-ditert-butyl-azulene CAS Name: 1-[bis(3,6-ditert-butyl-1-azulenyl)methyl]-3,6-ditert-butylazulene IUPAC Name: 1-[bis(3,6-ditert-butylazulen-1-yl)methyl]-3,6-ditert-butylazulene Traditional Name: 1-[bis(3,6-ditert-butylazulen-1-yl)methyl]-3,6-ditert-butyl-azulene Formula: C55H70 MolecularWeight: 731.1443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(C3=C4C=CC(=CC=C4C(=C3)C(C)(C)C)C(C)(C)C)C5=C6C=CC(=CC=C6C(=C5)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=C4C=CC(=CC=C4C(=C3)C(C)(C)C)C(C)(C)C)C5=C6C=CC(=CC=C6C(=C5)C(C)(C)C)C(C)(C)C)C=C1

InChI

InChI=1S/C55H70/c1-50(2,3)34-19-25-37-40(28-22-34)46(53(10,11)12)31-43(37)49(44-32-47(54(13,14)15)41-29-23-35(51(4,5)6)20-26-38(41)44)45-33-48(55(16,17)18)42-30-24-36(52(7,8)9)21-27-39(42)45/h19-33,49H,1-18H3