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12-pyren-1-yldodecanoic acid

12-pyren-1-yldodecanoic acid

Systemtic Name:12-pyren-1-yldodecanoic acid
Openeye Name:12-pyren-1-yldodecanoic acid
CAS Name:12-(1-pyrenyl)dodecanoic acid
IUPAC Name:12-pyren-1-yldodecanoic acid
Traditional Name:12-pyren-1-yllauric acid
Formula: C28H32O2
MolecularWeight: 400.55248
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H32O2/c29-26(30)14-9-7-5-3-1-2-4-6-8-11-21-15-16-24-18-17-22-12-10-13-23-19-20-25(21)28(24)27(22)23/h10,12-13,15-20H,1-9,11,14H2,(H,29,30)


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