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2-pyren-1-yloctadecanoic acid

2-pyren-1-yloctadecanoic acid

Systemtic Name:2-pyren-1-yloctadecanoic acid
Openeye Name:2-pyren-1-yloctadecanoic acid
CAS Name:2-(1-pyrenyl)octadecanoic acid
IUPAC Name:2-pyren-1-yloctadecanoic acid
Traditional Name:2-pyren-1-ylstearic acid
Formula: C34H44O2
MolecularWeight: 484.71196
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)O


InChI

InChI=1S/C34H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-31(34(35)36)29-24-22-28-21-20-26-17-16-18-27-23-25-30(29)33(28)32(26)27/h16-18,20-25,31H,2-15,19H2,1H3,(H,35,36)


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