12-oxidanylidene-12-pyren-1-yl-dodecanoic acid

Systemtic Name: 12-oxidanylidene-12-pyren-1-yl-dodecanoic acid Openeye Name: 12-oxo-12-pyren-1-yl-dodecanoic acid CAS Name: 12-oxo-12-(1-pyrenyl)dodecanoic acid IUPAC Name: 12-oxo-12-pyren-1-yldodecanoic acid Traditional Name: 12-keto-12-pyren-1-yl-lauric acid Formula: C28H30O3 MolecularWeight: 414.536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30O3/c29-25(12-7-5-3-1-2-4-6-8-13-26(30)31)23-18-16-22-15-14-20-10-9-11-21-17-19-24(23)28(22)27(20)21/h9-11,14-19H,1-8,12-13H2,(H,30,31)