4-pyren-4-ylbutanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)CCCC(=O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)CCCC(=O)O

InChI

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