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2-hexyl-3-methyl-12,14-dihydropentacene-5,7-dione

2-hexyl-3-methyl-12,14-dihydropentacene-5,7-dione

Systemtic Name:2-hexyl-3-methyl-12,14-dihydropentacene-5,7-dione
Openeye Name:2-hexyl-3-methyl-12,14-dihydropentacene-5,7-dione
CAS Name:2-hexyl-3-methyl-12,14-dihydropentacene-5,7-dione
IUPAC Name:2-hexyl-3-methyl-12,14-dihydropentacene-5,7-dione
Traditional Name:2-hexyl-3-methyl-12,14-dihydropentacene-5,7-quinone
Formula: C29H28O2
MolecularWeight: 408.53142
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)CC3=C(C2=O)C=C4C(=C3)CC5=CC=CC=C5C4=O)C


Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)CC3=C(C2=O)C=C4C(=C3)CC5=CC=CC=C5C4=O)C


InChI

InChI=1S/C29H28O2/c1-3-4-5-6-9-19-13-21-15-23-16-22-14-20-10-7-8-11-24(20)28(30)26(22)17-27(23)29(31)25(21)12-18(19)2/h7-8,10-13,16-17H,3-6,9,14-15H2,1-2H3


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