3-(4-SULFOBUTYL)-2-(5-(3-(4-SULFOBUTYL)-2-BENZOTHIAZOLINYLIDENE)-1,3-PENTADIENYL) BENZOTHIAZOLIUM HYDROXIDE, INNER SALT, TRIETHYLAMINE SALT

pro_cas
pro_cdbregno
CCD00070848
pro_formula
C27 H29 N2 O6 S4 . C6 H16 N
pro_molWeight
707.997

basic_info

Product_Name: 3-(4-SULFOBUTYL)-2-(5-(3-(4-SULFOBUTYL)-2-BENZOTHIAZOLINYLIDENE)-1,3-PENTADIENYL) BENZOTHIAZOLIUM HYDROXIDE, INNER SALT, TRIETHYLAMINE SALT
EnglishSynonyms: 3-(4-SULFOBUTYL)-2-(5-(3-(4-SULFOBUTYL)-2-BENZOTHIAZOLINYLIDENE)-1,3-PENTADIENYL) BENZOTHIAZOLIUM HYDROXIDE, INNER SALT, TRIETHYLAMINE SALT
pro_mdlNumber: MFCD00143066
pro_acceptors: 8
pro_donors: 0
pro_smile: CC[NH+](CC)CC.c1ccc2c(c1)[n+](c(s2)/C=C/C=C/C=C/3\N(c4ccccc4S3)CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)[O-]
InChi: InChI=1S/C27H30N2O6S4.C6H15N/c30-38(31,32)20-10-8-18-28-22-12-4-6-14-24(22)36-26(28)16-2-1-3-17-27-29(19-9-11-21-39(33,34)35)23-13-5-7-15-25(23)37-27;1-4-7(5-2)6-3/h1-7,12-17H,8-11,18-21H2,(H-,30,31,32,33,34,35);4-6H2,1-3H3
InChiKey: InChIKey=RNODUUQDEVODNF-UHFFFAOYSA-N

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