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pyrene; 1,4,4-triphenylbuta-1,3-dienylbenzene

pyrene; 1,4,4-triphenylbuta-1,3-dienylbenzene

Systemtic Name:pyrene; 1,4,4-triphenylbuta-1,3-dienylbenzene
Openeye Name:pyrene; 1,4,4-triphenylbuta-1,3-dienylbenzene
CAS Name:pyrene; 1,4,4-triphenylbuta-1,3-dienylbenzene
IUPAC Name:pyrene; 1,4,4-triphenylbuta-1,3-dienylbenzene
Traditional Name:pyrene; 1,4,4-triphenylbuta-1,3-dienylbenzene
Formula: C44H32
MolecularWeight: 560.72488
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2


Isomeric SMILES

C1=CC=C(C=C1)C(=CC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2


InChI

InChI=1S/C28H22.C16H10/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-22H;1-10H


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