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

Systemtic Name: 5,12-dioctyl-4,8-bis(octylsulfanyl)quinolino[2,3-b]acridine-7,14-dione Openeye Name: 5,12-dioctyl-4,8-bis(octylsulfanyl)quinolino[2,3-b]acridine-7,14-dione CAS Name: 5,12-dioctyl-4,8-bis(octylthio)quinolino[2,3-b]acridine-7,14-dione IUPAC Name: 5,12-dioctyl-4,8-bis(octylsulfanyl)quinolino[2,3-b]acridine-7,14-dione Traditional Name: 5,12-dioctyl-4,8-bis(octylthio)quinolin[2,3-b]acridine-7,14-quinone Formula: C52H76N2O2S2 MolecularWeight: 825.30204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C(=CC=C2)SCCCCCCCC)C(=O)C3=C1C=C4C(=C3)N(C5=C(C4=O)C=CC=C5SCCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCN1C2=C(C(=CC=C2)SCCCCCCCC)C(=O)C3=C1C=C4C(=C3)N(C5=C(C4=O)C=CC=C5SCCCCCCCC)CCCCCCCC

InChI

InChI=1S/C52H76N2O2S2/c1-5-9-13-17-21-25-35-53-44-32-30-33-47(57-37-27-23-19-15-11-7-3)49(44)52(56)43-40-46-42(39-45(43)53)51(55)41-31-29-34-48(58-38-28-24-20-16-12-8-4)50(41)54(46)36-26-22-18-14-10-6-2/h29-34,39-40H,5-28,35-38H2,1-4H3