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6-octyl-2-[2,3,4,5,6-pentakis(6-octylazulen-2-yl)phenyl]azulene

6-octyl-2-[2,3,4,5,6-pentakis(6-octylazulen-2-yl)phenyl]azulene

Systemtic Name:6-octyl-2-[2,3,4,5,6-pentakis(6-octylazulen-2-yl)phenyl]azulene
Openeye Name:6-octyl-2-[2,3,4,5,6-pentakis(6-octylazulen-2-yl)phenyl]azulene
CAS Name:6-octyl-2-[2,3,4,5,6-pentakis(6-octyl-2-azulenyl)phenyl]azulene
IUPAC Name:6-octyl-2-[2,3,4,5,6-pentakis(6-octylazulen-2-yl)phenyl]azulene
Traditional Name:6-octyl-2-[2,3,4,5,6-pentakis(6-octylazulen-2-yl)phenyl]azulene
Formula: C114H138
MolecularWeight: 1508.31552
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C2C=C(C=C2C=C1)C3=C(C(=C(C(=C3C4=CC5=CC=C(C=CC5=C4)CCCCCCCC)C6=CC7=CC=C(C=CC7=C6)CCCCCCCC)C8=CC9=CC=C(C=CC9=C8)CCCCCCCC)C1=CC2=CC=C(C=CC2=C1)CCCCCCCC)C1=CC2=CC=C(C=CC2=C1)CCCCCCCC


Isomeric SMILES

CCCCCCCCC1=CC=C2C=C(C=C2C=C1)C3=C(C(=C(C(=C3C4=CC5=CC=C(C=CC5=C4)CCCCCCCC)C6=CC7=CC=C(C=CC7=C6)CCCCCCCC)C8=CC9=CC=C(C=CC9=C8)CCCCCCCC)C1=CC2=CC=C(C=CC2=C1)CCCCCCCC)C1=CC2=CC=C(C=CC2=C1)CCCCCCCC


InChI

InChI=1S/C114H138/c1-7-13-19-25-31-37-43-85-49-61-91-73-103(74-92(91)62-50-85)109-110(104-75-93-63-51-86(52-64-94(93)76-104)44-38-32-26-20-14-8-2)112(106-79-97-67-55-88(56-68-98(97)80-106)46-40-34-28-22-16-10-4)114(108-83-101-71-59-90(60-72-102(101)84-108)48-42-36-30-24-18-12-6)113(107-81-99-69-57-89(58-70-100(99)82-107)47-41-35-29-23-17-11-5)111(109)105-77-95-65-53-87(54-66-96(95)78-105)45-39-33-27-21-15-9-3/h49-84H,7-48H2,1-6H3


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