2-[5-[1,3-二氢-3,3-二甲基-5-磺酸基-1-(3-磺酸基丙基)-2H-吲哚-2-亚基]-1,3-戊二烯基]-3,3-二甲基-5-磺酸基-1-(3-磺酸基丙基)-3H-吲哚鎓内盐三钠盐

pro_cas
190517-63-6
pro_cdbregno
CCD00541169
pro_formula
C31 H35 N2 O12 S4 . 3 Na
pro_molWeight
824.854

basic_info

Product_Name: 2-[5-[1,3-二氢-3,3-二甲基-5-磺酸基-1-(3-磺酸基丙基)-2H-吲哚-2-亚基]-1,3-戊二烯基]-3,3-二甲基-5-磺酸基-1-(3-磺酸基丙基)-3H-吲哚鎓内盐三钠盐
CAS: 190517-63-6
中文同义词: 2-[5-[1,3-二氢-3,3-二甲基-5-磺酸基-1-(3-磺酸基丙基)-2H-吲哚-2-亚基]-1,3-戊二烯基]-3,3-二甲基-5-磺酸基-1-(3-磺酸基丙基)-3H-吲哚鎓内盐三钠盐
EnglishSynonyms: TRISODIUM 2-((1E,3E)-5-[3,3-DIMETHYL-5-SULFONATO-1-(3-SULFONATOPROPYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-1,3-PENTADIENYL)-3,3-DIMETHYL-1-(3-SULFONATOPROPYL)-3H-INDOLIUM-5-SULFONATE ; 3H-INDOLIUM, 2-[5-[1,3-DIHYDRO-3,3-DIMETHYL-5-SULFO-1-(3-SULFOPROPYL)-2H-INDOL-2-YLIDENE]-1,3-PENTADIENYL]-3,3-DIMETHYL-5-SULFO-1-(3-SULFOPROPYL)-, INNER SALT, TRISODIUM SALT ; 2-[5-[1,3-DIHYDRO-3,3-DIMETHYL-5-SULFO-1-(3-SULFOPROPYL)-2H-INDOL-2-YLIDENE]-1,3-PENTADIENYL]-3,3-DIMETHYL-5-SULFO-1-(3-SULFOPROPYL)-3H-INDOLIUM INNER SALT TRISODIUM SALT
pro_mdlNumber: MFCD06409865
pro_acceptors: 14
pro_donors: 0
pro_smile: CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCCS(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)CCCS(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+]
InChi: InChI=1S/C31H38N2O12S4.3Na/c1-30(2)24-20-22(48(40,41)42)12-14-26(24)32(16-8-18-46(34,35)36)28(30)10-6-5-7-11-29-31(3,4)25-21-23(49(43,44)45)13-15-27(25)33(29)17-9-19-47(37,38)39;;;/h5-7,10-15,20-21H,8-9,16-19H2,1-4H3,(H3-,34,35,36,37,38,39,40,41,42,43,44,45);;;/q;3*+1/p-3
InChiKey: InChIKey=UQZXPFIKZSGQKX-UHFFFAOYSA-K

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