2-[5-[3,3-DIMETHYL-1-(4-SULFOBUTYL)-1,3-DIHYDROINDOL-2-YLIDENE]PENTA-1,3-DIENYL]-3,3-DIMETHYL-1-(4-SULFOBUTYL)-3H-INDOLIUM INNER SALT SODIUM SALT

pro_cas
120768-44-7
pro_cdbregno
CCD03028052
pro_formula
C33 H41 N2 O6 S2 . Na
pro_molWeight
648.817

basic_info

Product_Name: 2-[5-[3,3-DIMETHYL-1-(4-SULFOBUTYL)-1,3-DIHYDROINDOL-2-YLIDENE]PENTA-1,3-DIENYL]-3,3-DIMETHYL-1-(4-SULFOBUTYL)-3H-INDOLIUM INNER SALT SODIUM SALT
CAS: 120768-44-7
EnglishSynonyms: 2-[5-[3,3-DIMETHYL-1-(4-SULFOBUTYL)-1,3-DIHYDROINDOL-2-YLIDENE]PENTA-1,3-DIENYL]-3,3-DIMETHYL-1-(4-SULFOBUTYL)-3H-INDOLIUM INNER SALT SODIUM SALT
pro_mdlNumber: MFCD16621067
pro_acceptors: 8
pro_donors: 0
pro_smile: CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3CCCCS(=O)(=O)[O-])(C)C)CCCCS(=O)(=O)[O-])C.[Na+]
InChi: InChI=1S/C33H42N2O6S2.Na/c1-32(2)26-16-8-10-18-28(26)34(22-12-14-24-42(36,37)38)30(32)20-6-5-7-21-31-33(3,4)27-17-9-11-19-29(27)35(31)23-13-15-25-43(39,40)41;/h5-11,16-21H,12-15,22-25H2,1-4H3,(H-,36,37,38,39,40,41);/q;+1/p-1
InChiKey: InChIKey=KSHHHERZPMGWLZ-UHFFFAOYSA-M

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