CAS Registry Number 1057401-13-4
Name:
Pyrrolo[3,?4-?c]?pyrrole-?1,?4-?dione, 3,?6-?bis(5-?bromo-?2-?thienyl)?-?2,?5-?dihydro-?2,?5-?dioctyl-
3,6-Bis(5-bromo-2-thienyl)-2,5-dihydro-2,5-dioctylpyrrolo[3,4-c]pyrrole-1,4-dione
3,6-Bis(5-bromothiophen-2-yl)-2,5-dioctylpyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

Chemical Formula: C30H38Br2N2O2S2
Exact Mass: 680.07
Molecular Weight: 682.57
m/z: 682.07 (100.0%), 684.07 (56.0%), 680.07 (49.1%), 683.08 (31.9%), 685.07 (19.1%), 681.08 (16.2%), 684.08 (5.7%), 686.07 (5.3%), 683.07 (3.7%), 682.08 (3.0%), 686.08 (2.5%), 687.07 (1.5%), 681.07 (1.1%)

InChI:InChI=1S/C30H38Br2N2O2S2/c1-3-5-7-9-11-13-19-33-27(21-15-17-23(31)37-21)25-26(29(33)35)28(22-16-18-24(32)38-22)34(30(25)36)20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3

InChI Key:LVCBYFZCUVYBPP-UHFFFAOYSA-N

Canonical SMILES:CCCCCCCCN1C(=C2C(=C(N(C2=O)CCCCCCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)Br

Specification

98%

1. (2) Zou, Yingping; Macromolecules (Washington, DC, United States) 2009, V42(8), P2891-2894 CAPLUS