4,8-bis(octylsulfanyl)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

Systemtic Name: 4,8-bis(octylsulfanyl)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione Openeye Name: 4,8-bis(octylsulfanyl)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione CAS Name: 4,8-bis(octylthio)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione IUPAC Name: 4,8-bis(octylsulfanyl)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione Traditional Name: 4,8-bis(octylthio)-5,12-dihydroquinolin[2,3-b]acridine-7,14-quinone Formula: C36H44N2O2S2 MolecularWeight: 600.87676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=CC2=C1C(=O)C3=C(N2)C=C4C(=C3)NC5=C(C4=O)C=CC=C5SCCCCCCCC

Isomeric SMILES

CCCCCCCCSC1=CC=CC2=C1C(=O)C3=C(N2)C=C4C(=C3)NC5=C(C4=O)C=CC=C5SCCCCCCCC

InChI

InChI=1S/C36H44N2O2S2/c1-3-5-7-9-11-13-21-41-31-19-16-18-28-33(31)36(40)27-24-30-26(23-29(27)37-28)35(39)25-17-15-20-32(34(25)38-30)42-22-14-12-10-8-6-4-2/h15-20,23-24H,3-14,21-22H2,1-2H3,(H,37,40)(H,38,39)