3,3'-BIS(3-SULFOPROPYL)-5,5'-DIMETHOXYTHIACYANINE BETAINE TRIETHYLAMMONIUM SALT

CAS No.
63148-97-0
CCD No.
CCD00581937
Formula
C23 H26 N2 O8 S4 . C6 H15 N
MolWeight
687.92

Basic Information

Product Name: 3,3'-BIS(3-SULFOPROPYL)-5,5'-DIMETHOXYTHIACYANINE BETAINE TRIETHYLAMMONIUM SALT
CAS: 63148-97-0
English Synonyms: TRIETHYLAMMONIUM 3-(5-METHOXY-2-((5-METHOXY-3-(3-SULFONATOPROPYL)BENZO[D]THIAZOL-2(3H)-YLIDENE)METHYL)BENZO[D]THIAZOL-3-IUM-3-YL)PROPANE-1-SULFONATE ; 3,3'-BIS(3-SULFOPROPYL)-5,5'-DIMETHOXYTHIACYANINE BETAINE TRIETHYLAMMONIUM SALT ; 5,5'-DIMETHOXY-3,3'-BIS(3-SULFOPROPYL)THIACYANINE OH, TRIETHYLAMMONIUM SALT ; 5,5'-DIMETHOXY-3,3'-BIS(3-SULFOPROPYL)THIACYANINE,TRIETHYLAMMONIUM SALT
MDL Number.: MFCD07368584
H bond acceptor: 10
H bond donor: 1
Smile: CCN(CC)CC.COc1ccc2c(c1)[n+](c(s2)/C=C/3\N(c4cc(ccc4S3)OC)CCCS(=O)(=O)O)CCCS(=O)(=O)[O-]
InChi: InChI=1S/C23H26N2O8S4.C6H15N/c1-32-16-5-7-20-18(13-16)24(9-3-11-36(26,27)28)22(34-20)15-23-25(10-4-12-37(29,30)31)19-14-17(33-2)6-8-21(19)35-23;1-4-7(5-2)6-3/h5-8,13-15H,3-4,9-12H2,1-2H3,(H-,26,27,28,29,30,31);4-6H2,1-3H3
InChiKey: InChIKey=XGDLAZBMOHDWKV-UHFFFAOYSA-N

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