1,6-ditert-butyl-3-[(3,6-ditert-butylazulen-1-yl)-(4-ethynylphenyl)methyl]azulene

Systemtic Name: 1,6-ditert-butyl-3-[(3,6-ditert-butylazulen-1-yl)-(4-ethynylphenyl)methyl]azulene Openeye Name: 1,6-ditert-butyl-3-[(3,6-ditert-butylazulen-1-yl)-(4-ethynylphenyl)methyl]azulene CAS Name: 1,6-ditert-butyl-3-[(3,6-ditert-butyl-1-azulenyl)-(4-ethynylphenyl)methyl]azulene IUPAC Name: 1,6-ditert-butyl-3-[(3,6-ditert-butylazulen-1-yl)-(4-ethynylphenyl)methyl]azulene Traditional Name: 1,6-ditert-butyl-3-[(3,6-ditert-butylazulen-1-yl)-(4-ethynylphenyl)methyl]azulene Formula: C45H52 MolecularWeight: 592.89438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(C3=CC=C(C=C3)C#C)C4=C5C=CC(=CC=C5C(=C4)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=CC=C(C=C3)C#C)C4=C5C=CC(=CC=C5C(=C4)C(C)(C)C)C(C)(C)C)C=C1

InChI

InChI=1S/C45H52/c1-14-29-15-17-30(18-16-29)41(37-27-39(44(8,9)10)35-25-21-31(42(2,3)4)19-23-33(35)37)38-28-40(45(11,12)13)36-26-22-32(43(5,6)7)20-24-34(36)38/h1,15-28,41H,2-13H3