3-butyl-7,14-dihydropentacene-5,12-dione

Systemtic Name: 3-butyl-7,14-dihydropentacene-5,12-dione Openeye Name: 3-butyl-7,14-dihydropentacene-5,12-dione CAS Name: 3-butyl-7,14-dihydropentacene-5,12-dione IUPAC Name: 3-butyl-7,14-dihydropentacene-5,12-dione Traditional Name: 3-butyl-7,14-dihydropentacene-5,12-quinone Formula: C26H22O2 MolecularWeight: 366.45168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(CC3=C(C2=O)C=C4CC5=CC=CC=C5C(=O)C4=C3)C=C1

Isomeric SMILES

CCCCC1=CC2=C(CC3=C(C2=O)C=C4CC5=CC=CC=C5C(=O)C4=C3)C=C1

InChI

InChI=1S/C26H22O2/c1-2-3-6-16-9-10-18-13-20-14-23-19(15-24(20)26(28)22(18)11-16)12-17-7-4-5-8-21(17)25(23)27/h4-5,7-11,14-15H,2-3,6,12-13H2,1H3