5-METHYL-2-(2-(5-METHYL-3-(3-SULFOBUTYL)-2(3H)-BENZOTHIAZOLINYLIDENE) METHYL)-1-BUTENYL)-3-(3-SULFOBUTYL)-BENZOTHIAZOLIUM HYDROXIDE, INNER SALT,TRIETHYLAMINE SALT

CAS No.
CCD No.
CCD00071191
Formula
C29 H35 N2 O6 S4 . C6 H16 N
MolWeight
738.067

Basic Information

Product Name: 5-METHYL-2-(2-(5-METHYL-3-(3-SULFOBUTYL)-2(3H)-BENZOTHIAZOLINYLIDENE) METHYL)-1-BUTENYL)-3-(3-SULFOBUTYL)-BENZOTHIAZOLIUM HYDROXIDE, INNER SALT,TRIETHYLAMINE SALT
English Synonyms: 5-METHYL-2-(2-(5-METHYL-3-(3-SULFOBUTYL)-2(3H)-BENZOTHIAZOLINYLIDENE) METHYL)-1-BUTENYL)-3-(3-SULFOBUTYL)-BENZOTHIAZOLIUM HYDROXIDE, INNER SALT,TRIETHYLAMINE SALT
MDL Number.: MFCD00143469
H bond acceptor: 8
H bond donor: 0
Smile: CC/C(=C\c1[n+](c2cc(ccc2s1)C)CCC(C)S(=O)(=O)[O-])/C=C\3/N(c4cc(ccc4S3)C)CCC(C)S(=O)(=O)[O-].CC[NH+](CC)CC
InChi: InChI=1S/C29H36N2O6S4.C6H15N/c1-6-23(17-28-30(13-11-21(4)40(32,33)34)24-15-19(2)7-9-26(24)38-28)18-29-31(14-12-22(5)41(35,36)37)25-16-20(3)8-10-27(25)39-29;1-4-7(5-2)6-3/h7-10,15-18,21-22H,6,11-14H2,1-5H3,(H-,32,33,34,35,36,37);4-6H2,1-3H3
InChiKey: InChIKey=JZYZCOCJLSYAHF-UHFFFAOYSA-N

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