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

Systemtic Name: 1,4-bis[4-(4-propylphenyl)sulfanylphenyl]pyrrolo[3,4-c]pyrrole-3,6-dione Openeye Name: 1,4-bis[4-(4-propylphenyl)sulfanylphenyl]pyrrolo[3,4-c]pyrrole-3,6-dione CAS Name: 1,4-bis[4-[(4-propylphenyl)thio]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione IUPAC Name: 1,4-bis[4-(4-propylphenyl)sulfanylphenyl]pyrrolo[3,4-c]pyrrole-3,6-dione Traditional Name: 1,4-bis[4-[(4-propylphenyl)thio]phenyl]pyrrolo[3,4-c]pyrrole-3,6-quinone Formula: C36H30N2O2S2 MolecularWeight: 586.7656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)SC2=CC=C(C=C2)C3=NC(=O)C4=C3C(=O)N=C4C5=CC=C(C=C5)SC6=CC=C(C=C6)CCC

Isomeric SMILES

CCCC1=CC=C(C=C1)SC2=CC=C(C=C2)C3=NC(=O)C4=C3C(=O)N=C4C5=CC=C(C=C5)SC6=CC=C(C=C6)CCC

InChI

InChI=1S/C36H30N2O2S2/c1-3-5-23-7-15-27(16-8-23)41-29-19-11-25(12-20-29)33-31-32(36(40)37-33)34(38-35(31)39)26-13-21-30(22-14-26)42-28-17-9-24(6-4-2)10-18-28/h7-22H,3-6H2,1-2H3