3-butan-2-yl-9-methyl-12,14-dihydropentacene-5,7-dione

Systemtic Name: 3-butan-2-yl-9-methyl-12,14-dihydropentacene-5,7-dione Openeye Name: 3-methyl-9-sec-butyl-12,14-dihydropentacene-5,7-dione CAS Name: 3-butan-2-yl-9-methyl-12,14-dihydropentacene-5,7-dione IUPAC Name: 3-butan-2-yl-9-methyl-12,14-dihydropentacene-5,7-dione Traditional Name: 3-methyl-9-sec-butyl-12,14-dihydropentacene-5,7-quinone Formula: C27H24O2 MolecularWeight: 380.47826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(CC3=C(C2=O)C=C4C(=C3)CC5=C(C4=O)C=C(C=C5)C)C=C1

Isomeric SMILES

CCC(C)C1=CC2=C(CC3=C(C2=O)C=C4C(=C3)CC5=C(C4=O)C=C(C=C5)C)C=C1

InChI

InChI=1S/C27H24O2/c1-4-16(3)17-7-8-19-11-21-12-20-10-18-6-5-15(2)9-22(18)26(28)24(20)14-25(21)27(29)23(19)13-17/h5-9,12-14,16H,4,10-11H2,1-3H3