1,4-bis(4-butylsulfanylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione

Systemtic Name: 1,4-bis(4-butylsulfanylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione Openeye Name: 1,4-bis(4-butylsulfanylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione CAS Name: 1,4-bis[4-(butylthio)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione IUPAC Name: 1,4-bis(4-butylsulfanylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione Traditional Name: 1,4-bis[4-(butylthio)phenyl]pyrrolo[3,4-c]pyrrole-3,6-quinone Formula: C26H26N2O2S2 MolecularWeight: 462.62684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=NC(=O)C3=C2C(=O)N=C3C4=CC=C(C=C4)SCCCC

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=NC(=O)C3=C2C(=O)N=C3C4=CC=C(C=C4)SCCCC

InChI

InChI=1S/C26H26N2O2S2/c1-3-5-15-31-19-11-7-17(8-12-19)23-21-22(26(30)27-23)24(28-25(21)29)18-9-13-20(14-10-18)32-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3