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4-pyren-1-ylbutanoic acid

4-pyren-1-ylbutanoic acid

Systemtic Name:4-pyren-1-ylbutanoic acid
Openeye Name:4-pyren-1-ylbutanoic acid
CAS Name:4-(1-pyrenyl)butanoic acid
IUPAC Name:4-pyren-1-ylbutanoic acid
Traditional Name:4-pyren-1-ylbutyric acid
Formula: C20H16O2
MolecularWeight: 288.33984
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)O


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)O


InChI

InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)


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