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16-pyren-1-ylhexadecanoic acid

16-pyren-1-ylhexadecanoic acid

Systemtic Name:16-pyren-1-ylhexadecanoic acid
Openeye Name:16-pyren-1-ylhexadecanoic acid
CAS Name:16-(1-pyrenyl)hexadecanoic acid
IUPAC Name:16-pyren-1-ylhexadecanoic acid
Traditional Name:16-pyren-1-ylpalmitic acid
Formula: C32H40O2
MolecularWeight: 456.6588
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C32H40O2/c33-30(34)18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-25-19-20-28-22-21-26-16-14-17-27-23-24-29(25)32(28)31(26)27/h14,16-17,19-24H,1-13,15,18H2,(H,33,34)


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