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3-oct-1-ynylperylene-1,12-dione

3-oct-1-ynylperylene-1,12-dione

Systemtic Name:3-oct-1-ynylperylene-1,12-dione
Openeye Name:3-oct-1-ynylperylene-1,12-dione
CAS Name:3-oct-1-ynylperylene-1,12-dione
IUPAC Name:3-oct-1-ynylperylene-1,12-dione
Traditional Name:3-oct-1-ynylperylene-1,12-quinone
Formula: C28H22O2
MolecularWeight: 390.47308
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC(=O)C2=C3C(=O)C=CC4=C3C(=CC=C4)C5=CC=CC1=C52


Isomeric SMILES

CCCCCCC#CC1=CC(=O)C2=C3C(=O)C=CC4=C3C(=CC=C4)C5=CC=CC1=C52


InChI

InChI=1S/C28H22O2/c1-2-3-4-5-6-7-10-19-17-24(30)28-26-20(19)12-9-14-22(26)21-13-8-11-18-15-16-23(29)27(28)25(18)21/h8-9,11-17H,2-6H2,1H3


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