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1,7-dioctylcoronene

1,7-dioctylcoronene

Systemtic Name:1,7-dioctylcoronene
Openeye Name:1,7-dioctylcoronene
CAS Name:1,7-dioctylcoronene
IUPAC Name:1,7-dioctylcoronene
Traditional Name:1,7-dioctylcoronene
Formula: C40H44
MolecularWeight: 524.77736
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C=CC3=C4C2=C5C(=C1)C=CC6=C5C7=C4C(=CC(=C7C=C6)CCCCCCCC)C=C3


Isomeric SMILES

CCCCCCCCC1=C2C=CC3=C4C2=C5C(=C1)C=CC6=C5C7=C4C(=CC(=C7C=C6)CCCCCCCC)C=C3


InChI

InChI=1S/C40H44/c1-3-5-7-9-11-13-15-29-25-31-19-17-28-22-24-34-30(16-14-12-10-8-6-4-2)26-32-20-18-27-21-23-33(29)39-35(27)38(32)40(34)36(28)37(31)39/h17-26H,3-16H2,1-2H3


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