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pyren-1-ylmethyl dodecanoate

pyren-1-ylmethyl dodecanoate

Systemtic Name:pyren-1-ylmethyl dodecanoate
Openeye Name:pyren-1-ylmethyl dodecanoate
CAS Name:dodecanoic acid 1-pyrenylmethyl ester
IUPAC Name:pyren-1-ylmethyl dodecanoate
Traditional Name:lauric acid pyren-1-ylmethyl ester
Formula: C29H34O2
MolecularWeight: 414.57906
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1


Isomeric SMILES

CCCCCCCCCCCC(=O)OCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1


InChI

InChI=1S/C29H34O2/c1-2-3-4-5-6-7-8-9-10-14-27(30)31-21-25-18-17-24-16-15-22-12-11-13-23-19-20-26(25)29(24)28(22)23/h11-13,15-20H,2-10,14,21H2,1H3


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