3,9-bis(methylsulfanyl)-12,14-dihydropentacene-5,7-dione

Systemtic Name: 3,9-bis(methylsulfanyl)-12,14-dihydropentacene-5,7-dione Openeye Name: 3,9-bis(methylsulfanyl)-12,14-dihydropentacene-5,7-dione CAS Name: 3,9-bis(methylthio)-12,14-dihydropentacene-5,7-dione IUPAC Name: 3,9-bis(methylsulfanyl)-12,14-dihydropentacene-5,7-dione Traditional Name: 3,9-bis(methylthio)-12,14-dihydropentacene-5,7-quinone Formula: C24H18O2S2 MolecularWeight: 402.52852

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C=CC(=C5)SC)C=C1

Isomeric SMILES

CSC1=CC2=C(CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C=CC(=C5)SC)C=C1

InChI

InChI=1S/C24H18O2S2/c1-27-17-5-3-13-7-15-9-16-8-14-4-6-18(28-2)11-20(14)24(26)22(16)12-21(15)23(25)19(13)10-17/h3-6,9-12H,7-8H2,1-2H3