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9-[3-(4,5-dibutyl-2-ethynyl-phenyl)prop-2-ynyl]anthracene

9-[3-(4,5-dibutyl-2-ethynyl-phenyl)prop-2-ynyl]anthracene

Systemtic Name:9-[3-(4,5-dibutyl-2-ethynyl-phenyl)prop-2-ynyl]anthracene
Openeye Name:9-[3-(4,5-dibutyl-2-ethynyl-phenyl)prop-2-ynyl]anthracene
CAS Name:9-[3-(4,5-dibutyl-2-ethynylphenyl)prop-2-ynyl]anthracene
IUPAC Name:9-[3-(4,5-dibutyl-2-ethynylphenyl)prop-2-ynyl]anthracene
Traditional Name:9-[3-(4,5-dibutyl-2-ethynyl-phenyl)prop-2-ynyl]anthracene
Formula: C33H32
MolecularWeight: 428.60718
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)C#C)C#CCC2=C3C=CC=CC3=CC4=CC=CC=C42)CCCC


Isomeric SMILES

CCCCC1=C(C=C(C(=C1)C#C)C#CCC2=C3C=CC=CC3=CC4=CC=CC=C42)CCCC


InChI

InChI=1S/C33H32/c1-4-7-14-27-22-25(6-3)26(23-28(27)15-8-5-2)18-13-21-33-31-19-11-9-16-29(31)24-30-17-10-12-20-32(30)33/h3,9-12,16-17,19-20,22-24H,4-5,7-8,14-15,21H2,1-2H3


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