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2-(8-butylpyren-1-yl)butanoic acid

2-(8-butylpyren-1-yl)butanoic acid

Systemtic Name:2-(8-butylpyren-1-yl)butanoic acid
Openeye Name:2-(8-butylpyren-1-yl)butanoic acid
CAS Name:2-(8-butyl-1-pyrenyl)butanoic acid
IUPAC Name:2-(8-butylpyren-1-yl)butanoic acid
Traditional Name:2-(8-butylpyren-1-yl)butyric acid
Formula: C24H24O2
MolecularWeight: 344.44616
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)C(CC)C(=O)O


Isomeric SMILES

CCCCC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)C(CC)C(=O)O


InChI

InChI=1S/C24H24O2/c1-3-5-6-15-7-8-16-9-10-17-11-12-20(18(4-2)24(25)26)21-14-13-19(15)22(16)23(17)21/h7-14,18H,3-6H2,1-2H3,(H,25,26)


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