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1-coronen-1-ylcoronene

1-coronen-1-ylcoronene

Systemtic Name:1-coronen-1-ylcoronene
Openeye Name:1-coronen-1-ylcoronene
CAS Name:1-(1-coronenyl)coronene
IUPAC Name:1-coronen-1-ylcoronene
Traditional Name:1-coronen-1-ylcoronene
Formula: C48H22
MolecularWeight: 598.68828
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C4=C1C=CC5=C4C6=C7C3=C(C=C2)C=CC7=C(C=C6C=C5)C8=C9C=CC1=C2C9=C3C(=C8)C=CC4=C3C3=C(C=CC(=C32)C=C1)C=C4


Isomeric SMILES

C1=CC2=C3C4=C1C=CC5=C4C6=C7C3=C(C=C2)C=CC7=C(C=C6C=C5)C8=C9C=CC1=C2C9=C3C(=C8)C=CC4=C3C3=C(C=CC(=C32)C=C1)C=C4


InChI

InChI=1S/C48H22/c1-5-25-9-11-29-17-19-33-35(21-31-15-13-27-7-3-23(1)37-39(25)43(29)47(33)45(31)41(27)37)36-22-32-16-14-28-8-4-24-2-6-26-10-12-30-18-20-34(36)48-44(30)40(26)38(24)42(28)46(32)48/h1-22H


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