SIDAG DYE

pro_cas
308127-47-1
pro_cdbregno
CCD04011063
pro_formula
C49 H69 N4 O18 S2 . Na
pro_molWeight
1089.22

basic_info

Product_Name: SIDAG DYE
CAS: 308127-47-1
EnglishSynonyms: SIDAG DYE
pro_mdlNumber: MFCD18251413
pro_acceptors: 22
pro_donors: 12
pro_smile: CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCCCS(=O)(=O)[O-])C(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)(C)C)CCCCS(=O)(=O)[O-])C(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C.[Na+]
InChi: InChI=1S/C49H70N4O18S2.Na/c1-48(2)32-24-30(46(64)50-26-36(56)42(60)44(62)38(58)28-54)16-18-34(32)52(20-10-12-22-72(66,67)68)40(48)14-8-6-5-7-9-15-41-49(3,4)33-25-31(17-19-35(33)53(41)21-11-13-23-73(69,70)71)47(65)51-27-37(57)43(61)45(63)39(59)29-55;/h5-9,14-19,24-25,36-39,42-45,54-63H,10-13,20-23,26-29H2,1-4H3,(H3-,50,51,64,65,66,67,68,69,70,71);/q;+1/p-1/t36-,37-,38+,39+,42+,43+,44+,45+;/m0./s1
InChiKey: InChIKey=OBCDZDCGTDCFQV-MFZQRHOYSA-M

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