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4-pyren-1-yloctadecanoic acid

4-pyren-1-yloctadecanoic acid

Systemtic Name:4-pyren-1-yloctadecanoic acid
Openeye Name:4-pyren-1-yloctadecanoic acid
CAS Name:4-(1-pyrenyl)octadecanoic acid
IUPAC Name:4-pyren-1-yloctadecanoic acid
Traditional Name:4-pyren-1-ylstearic acid
Formula: C34H44O2
MolecularWeight: 484.71196
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C34H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-26(22-25-32(35)36)30-23-20-29-19-18-27-16-14-17-28-21-24-31(30)34(29)33(27)28/h14,16-21,23-24,26H,2-13,15,22,25H2,1H3,(H,35,36)


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