3-(6-propylpyren-1-yl)propanoic acid

Systemtic Name: 3-(6-propylpyren-1-yl)propanoic acid Openeye Name: 3-(6-propylpyren-1-yl)propanoic acid CAS Name: 3-(6-propyl-1-pyrenyl)propanoic acid IUPAC Name: 3-(6-propylpyren-1-yl)propanoic acid Traditional Name: 3-(6-propylpyren-1-yl)propionic acid Formula: C22H20O2 MolecularWeight: 316.393

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C=CC3=C4C2=C(C=C1)C=CC4=C(C=C3)CCC(=O)O

Isomeric SMILES

CCCC1=C2C=CC3=C4C2=C(C=C1)C=CC4=C(C=C3)CCC(=O)O

InChI

InChI=1S/C22H20O2/c1-2-3-14-4-6-16-9-12-19-15(10-13-20(23)24)5-7-17-8-11-18(14)21(16)22(17)19/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,24)