5-CHLORO-9-ETHYL-5'-PHENYL-3-(4-SULFOBUTYL)-3'-(3-SULFOPROPYL)OXACARBOCYANINE BETAINE SODIUM SALT

CAS No.
28118-05-0
CCD No.
CCD00581940
Formula
C32 H32 Cl N2 O8 S2 . Na
MolWeight
695.186

Basic Information

Product Name: 5-CHLORO-9-ETHYL-5'-PHENYL-3-(4-SULFOBUTYL)-3'-(3-SULFOPROPYL)OXACARBOCYANINE BETAINE SODIUM SALT
CAS: 28118-05-0
English Synonyms: 5-CHLORO-9-ETHYL-5'-PHENYL-3-(4-SULFOBUTYL)-3'-(3-SULFOPROPYL)OXACARBOCYANINE BETAINE SODIUM SALT
MDL Number.: MFCD07368587
H bond acceptor: 10
H bond donor: 0
Smile: CC/C(=C\c1[n+](c2cc(ccc2o1)Cl)CCCCS(=O)(=O)[O-])/C=C/3\N(c4cc(ccc4O3)c5ccccc5)CCCS(=O)(=O)[O-].[Na+]
InChi: InChI=1S/C32H33ClN2O8S2.Na/c1-2-23(19-31-34(15-6-7-17-44(36,37)38)28-22-26(33)12-14-30(28)43-31)20-32-35(16-8-18-45(39,40)41)27-21-25(11-13-29(27)42-32)24-9-4-3-5-10-24;/h3-5,9-14,19-22H,2,6-8,15-18H2,1H3,(H-,36,37,38,39,40,41);/q;+1/p-1
InChiKey: InChIKey=NSUAXHPXJOELJC-UHFFFAOYSA-M

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