IR-144

CAS No.
54849-69-3
CCD No.
CCD00034194
Formula
C50 H58 N4 O8 S2 . C6 H15 N
MolWeight
1008.35

Basic Information

Product Name: IR-144
CAS: 54849-69-3
English Synonyms: IR-144
MDL Number.: MFCD00051382
H bond acceptor: 12
H bond donor: 1
Smile: CCN(CC)CC.CCOC(=O)N1CCN(CC1)C\2=C(CC/C2=C\C=C\3/C(c4c5ccccc5ccc4N3CCCS(=O)(=O)O)(C)C)/C=C/C6=[N+](c7ccc8ccccc8c7C6(C)C)CCCS(=O)(=O)[O-]
InChi: InChI=1S/C50H58N4O8S2.C6H15N/c1-6-62-48(55)52-31-29-51(30-32-52)47-37(21-25-43-49(2,3)45-39-15-9-7-13-35(39)19-23-41(45)53(43)27-11-33-63(56,57)58)17-18-38(47)22-26-44-50(4,5)46-40-16-10-8-14-36(40)20-24-42(46)54(44)28-12-34-64(59,60)61;1-4-7(5-2)6-3/h7-10,13-16,19-26H,6,11-12,17-18,27-34H2,1-5H3,(H-,56,57,58,59,60,61);4-6H2,1-3H3
InChiKey: InChIKey=CLQSKAVTPLZPDL-UHFFFAOYSA-N

Property

Specification: LASER GRADE

Safety information

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