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11-(1-pyren-1-ylethenoxy)undecanoic acid

11-(1-pyren-1-ylethenoxy)undecanoic acid

Systemtic Name:11-(1-pyren-1-ylethenoxy)undecanoic acid
Openeye Name:11-(1-pyren-1-ylvinyloxy)undecanoic acid
CAS Name:11-[1-(1-pyrenyl)ethenoxy]undecanoic acid
IUPAC Name:11-(1-pyren-1-ylethenoxy)undecanoic acid
Traditional Name:11-(1-pyren-1-ylvinyloxy)undecanoic acid
Formula: C29H32O3
MolecularWeight: 428.56258
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C29H32O3/c1-21(32-20-9-7-5-3-2-4-6-8-13-27(30)31)25-18-16-24-15-14-22-11-10-12-23-17-19-26(25)29(24)28(22)23/h10-12,14-19H,1-9,13,20H2,(H,30,31)


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