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4-oct-1-ynylperylene-1,12-dione

4-oct-1-ynylperylene-1,12-dione

Systemtic Name:4-oct-1-ynylperylene-1,12-dione
Openeye Name:4-oct-1-ynylperylene-1,12-dione
CAS Name:4-oct-1-ynylperylene-1,12-dione
IUPAC Name:4-oct-1-ynylperylene-1,12-dione
Traditional Name:4-oct-1-ynylperylene-1,12-quinone
Formula: C28H22O2
MolecularWeight: 390.47308
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=C2C=CC(=O)C3=C4C(=O)C=CC5=C4C(=CC=C5)C(=C23)C=C1


Isomeric SMILES

CCCCCCC#CC1=C2C=CC(=O)C3=C4C(=O)C=CC5=C4C(=CC=C5)C(=C23)C=C1


InChI

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


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