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1,6,8,13-tetrahexylovalene

1,6,8,13-tetrahexylovalene

Systemtic Name:1,6,8,13-tetrahexylovalene
Openeye Name:1,6,8,13-tetrahexylovalene
CAS Name:1,6,8,13-tetrahexylovalene
IUPAC Name:1,6,8,13-tetrahexylovalene
Traditional Name:1,6,8,13-tetrahexylovalene
Formula: C56H62
MolecularWeight: 735.09148
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C3C4=C(C=C2)C=C(C5=CC6=C(C=C7C=CC8=CC(=C9C=C1C3=C1C9=C8C7=C6C1=C54)CCCCCC)CCCCCC)CCCCCC


Isomeric SMILES

CCCCCCC1=CC2=C3C4=C(C=C2)C=C(C5=CC6=C(C=C7C=CC8=CC(=C9C=C1C3=C1C9=C8C7=C6C1=C54)CCCCCC)CCCCCC)CCCCCC


InChI

InChI=1S/C56H62/c1-5-9-13-17-21-35-29-39-25-26-40-31-37(23-19-15-11-7-3)45-34-46-38(24-20-16-12-8-4)32-42-28-27-41-30-36(22-18-14-10-6-2)44-33-43(35)51-47(39)48(40)53(45)56-54(46)50(42)49(41)52(44)55(51)56/h25-34H,5-24H2,1-4H3


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