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2-pyren-1-ylbutanoic acid

2-pyren-1-ylbutanoic acid

Systemtic Name:2-pyren-1-ylbutanoic acid
Openeye Name:2-pyren-1-ylbutanoic acid
CAS Name:2-(1-pyrenyl)butanoic acid
IUPAC Name:2-pyren-1-ylbutanoic acid
Traditional Name:2-pyren-1-ylbutyric acid
Formula: C20H16O2
MolecularWeight: 288.33984
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H16O2/c1-2-15(20(21)22)16-10-8-14-7-6-12-4-3-5-13-9-11-17(16)19(14)18(12)13/h3-11,15H,2H2,1H3,(H,21,22)


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