Products 2408481-68-3
CAS 2408481-68-3 is the registry number for IT-2Br, 97%. Offered by: Chemat Brand. Available pack sizes: on request.
2-[(2Z)-5-bromo-2-[[20-[(Z)-[5-bromo-1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile (CAS 2408481-68-3) is a chemical compound with the molecular formula C94H80Br2N4O2S4 and a molecular weight of 1585.7 g/mol. IUPAC name: 2-[(2Z)-5-bromo-2-[[20-[(Z)-[5-bromo-1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile. InChIKey: KGXMDAQHCGXIHZ-RAZNYSMDSA-N.
| Molecular formula | C94H80Br2N4O2S4 |
|---|---|
| Molecular weight | 1585.7 g/mol |
| IUPAC name | 2-[(2Z)-5-bromo-2-[[20-[(Z)-[5-bromo-1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile |
| InChIKey | KGXMDAQHCGXIHZ-RAZNYSMDSA-N |
| SMILES | CCCCCCC1=CC=C(C=C1)C2(C3=CC4=C(C=C3C5=C2C6=C(S5)C=C(S6)/C=C\7/C(=C(C#N)C#N)C8=C(C7=O)C=C(C=C8)Br)C(C9=C4SC1=C9SC(=C1)/C=C\1/C(=C(C#N)C#N)C2=C(C1=O)C=C(C=C2)Br)(C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC |
Computed by PubChem (NCBI)