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4-pyren-2-ylbutanoic acid

4-pyren-2-ylbutanoic acid

Systemtic Name:4-pyren-2-ylbutanoic acid
Openeye Name:4-pyren-2-ylbutanoic acid
CAS Name:4-(2-pyrenyl)butanoic acid
IUPAC Name:4-pyren-2-ylbutanoic acid
Traditional Name:4-pyren-2-ylbutyric acid
Formula: C20H16O2
MolecularWeight: 288.33984
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)CCCC(=O)O)C=C2


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)CCCC(=O)O)C=C2


InChI

InChI=1S/C20H16O2/c21-18(22)6-1-3-13-11-16-9-7-14-4-2-5-15-8-10-17(12-13)20(16)19(14)15/h2,4-5,7-12H,1,3,6H2,(H,21,22)


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