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

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

Systemtic Name:2-(8-octadecylpyren-1-yl)butanoic acid
Openeye Name:2-(8-octadecylpyren-1-yl)butanoic acid
CAS Name:2-(8-octadecyl-1-pyrenyl)butanoic acid
IUPAC Name:2-(8-octadecylpyren-1-yl)butanoic acid
Traditional Name:2-(8-stearylpyren-1-yl)butyric acid
Formula: C38H52O2
MolecularWeight: 540.81828
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)C(CC)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)C(CC)C(=O)O


InChI

InChI=1S/C38H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-21-22-30-23-24-31-25-26-34(32(4-2)38(39)40)35-28-27-33(29)36(30)37(31)35/h21-28,32H,3-20H2,1-2H3,(H,39,40)


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