4,5-BENZO-3,3'-BIS(3-SULFOPROPYL)THIACYANINE BETAINE TRIETHYLAMMONIUM SALT

CAS No.
60760-42-1
CCD No.
CCD00070540
Formula
C25 H24 N2 O6 S4 . C6 H15 N
MolWeight
677.928

Basic Information

Product Name: 4,5-BENZO-3,3'-BIS(3-SULFOPROPYL)THIACYANINE BETAINE TRIETHYLAMMONIUM SALT
CAS: 60760-42-1
English Synonyms: 1-(3-SULFOPROPYL)-2-((3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE)METHYL)NAPHTHO(1,2-D)THIAZOLIUM HYDROXIDE, INNER SALT, TRIETHYLAMMONIUM SALT ; 1-W-SULFOPROPYL-2-(1-W-SULFOPROPYL-1,3-BENZTHIAZOLIN-2-YLIDEN-METHYL)-NAPHTHO[5,4A]1,3-THIAZOLIUM-BETAIN TRIETHYLAMMONIUM SALT ; 3,3'-DI-(3-SULFOPROPYL)-4',5'-BENZO-BENZTHIAZOLO-MONOMETHINECYANINEBETAINE-TRIETHYLAMMONIUM SALT ; 4,5-BENZO-3,3'-BIS(3-SULFOPROPYL)THIACYANINE BETAINE TRIETHYLAMMONIUM SALT
MDL Number.: MFCD00142702
H bond acceptor: 8
H bond donor: 1
Smile: CCN(CC)CC.c1ccc2c(c1)ccc3c2[n+](c(s3)/C=C\4/N(c5ccccc5S4)CCCS(=O)(=O)O)CCCS(=O)(=O)[O-]
InChi: InChI=1S/C25H24N2O6S4.C6H15N/c28-36(29,30)15-5-13-26-20-9-3-4-10-21(20)34-23(26)17-24-27(14-6-16-37(31,32)33)25-19-8-2-1-7-18(19)11-12-22(25)35-24;1-4-7(5-2)6-3/h1-4,7-12,17H,5-6,13-16H2,(H-,28,29,30,31,32,33);4-6H2,1-3H3
InChiKey: InChIKey=RTHHIXINZMFGEU-UHFFFAOYSA-N

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