Ir-140

• CAS: 53655-17-7
• Catalog Number: ACM53655177
• Category: Organic & Printed Electronics
• Molecular Weight: 779.2g/mol
• Molecular Formula: C39H34Cl3N3O4S2
• Synonyms: IR-140;IR 140 (DYE);IR-140 PERCHLORATE;KODAK IR 140;5,5-DICHLORO-3,3-DIETHYL-11-DIPHENYLAMINO-10,12-ETHYLENETHIATRICARBOCYANINE PERCHLORATE;5,5-DICHLORO-11-DIPHENYLAMINO-3,3-DIETHYL-10,12-ETHYLENETHIATRICARBOCYANINE PERCHLORATE;5-CHLORO-2-(2-[3-(2-[5-CHLO
• IUPAC Name: N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;perchlorate
• Canonical SMILES: CCN1C2=C(C=CC(=C2)Cl)SC1=CC=C3CCC(=C3N(C4=CC=CC=C4)C5=CC=CC=C5)C=CC6=[N+](C7=C(S6)C=CC(=C7)Cl)CC.[O-]Cl(=O)(=O)=O
• InChI: InChI=1S/C39H34Cl2N3S2.ClHO4/c1-3-42-33-25-29(40)19-21-35(33)45-37(42)23-17-27-15-16-28(18-24-38-43(4-2)34-26-30(41)20-22-36(34)46-38)39(27)44(31-11-7-5-8-12-31)32-13-9-6-10-14-32;2-1(3,4)5/h5-14,17-26H,3-4,15-16H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
• InChI Key: UVLDECUUBLLYRG-UHFFFAOYSA-M
• Complexity: 1180
• Covalently-Bonded Unit Count: 2
• EC Number: 258-689-0
• Exact Mass: 777.105632g/mol
• Formal Charge: 0
• H-Bond Acceptor: 8
• H-Bond Donor: 0
• Heavy Atom Count: 51
• Monoisotopic Mass: 777.105632g/mol
• NSC Number: 290436
• Rotatable Bond Count: 8