IR-132

CAS No.
51010-97-0
CCD No.
CCD00034190
Formula
C53 H48 N3 O4 S2 . Cl O4
MolWeight
954.56

Basic Information

Product Name: IR-132
CAS: 51010-97-0
English Synonyms: IR-132
MDL Number.: MFCD00051378
H bond acceptor: 7
H bond donor: 0
Smile: COC(=O)CCC[n+]1c2cc3ccccc3cc2sc1/C=C/C4=C(/C(=C/C=C/5\N(c6cc7ccccc7cc6S5)CCCC(=O)OC)/CC4)N(c8ccccc8)c9ccccc9.[O-]Cl(=O)(=O)=O
InChi: InChI=1S/C53H48N3O4S2.ClHO4/c1-59-51(57)23-13-31-54-45-33-39-15-9-11-17-41(39)35-47(45)61-49(54)29-27-37-25-26-38(53(37)56(43-19-5-3-6-20-43)44-21-7-4-8-22-44)28-30-50-55(32-14-24-52(58)60-2)46-34-40-16-10-12-18-42(40)36-48(46)62-50;2-1(3,4)5/h3-12,15-22,27-30,33-36H,13-14,23-26,31-32H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChiKey: InChIKey=LUJHNAMCGIFCOY-UHFFFAOYSA-M

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