1,11-bis(methylsulfanyl)-12,14-dihydropentacene-5,7-dione

Systemtic Name: 1,11-bis(methylsulfanyl)-12,14-dihydropentacene-5,7-dione Openeye Name: 1,11-bis(methylsulfanyl)-12,14-dihydropentacene-5,7-dione CAS Name: 1,11-bis(methylthio)-12,14-dihydropentacene-5,7-dione IUPAC Name: 1,11-bis(methylsulfanyl)-12,14-dihydropentacene-5,7-dione Traditional Name: 1,11-bis(methylthio)-12,14-dihydropentacene-5,7-quinone Formula: C24H18O2S2 MolecularWeight: 402.52852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C(=CC=C5)SC

Isomeric SMILES

CSC1=CC=CC2=C1CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C(=CC=C5)SC

InChI

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