2-(5-PHENYL-2-(2-((5-PHENYL-3-(2-(SULFOOXY)ETHYL)BENZO[D]OXAZOL-2(3H)-YLIDENE)METHYL)BUT-1-ENYL)BENZO[D]OXAZOL-3-IUM-3-YL)ETHYL SULFATE

CAS No.
27746-90-3
CCD No.
CCD00783512
Formula
C35 H32 N2 O10 S2
MolWeight
704.774

Basic Information

Product Name: 2-(5-PHENYL-2-(2-((5-PHENYL-3-(2-(SULFOOXY)ETHYL)BENZO[D]OXAZOL-2(3H)-YLIDENE)METHYL)BUT-1-ENYL)BENZO[D]OXAZOL-3-IUM-3-YL)ETHYL SULFATE
CAS: 27746-90-3
English Synonyms: 2-(5-PHENYL-2-(2-((5-PHENYL-3-(2-(SULFOOXY)ETHYL)BENZO[D]OXAZOL-2(3H)-YLIDENE)METHYL)BUT-1-ENYL)BENZO[D]OXAZOL-3-IUM-3-YL)ETHYL SULFATE ; 3, 3'-BIS(2-SULFATOETHYL)-5, 5'-DIPHENYL-9-ETHYLOXACARBOCYANINE BETAINE
MDL Number.: MFCD09752913
H bond acceptor: 12
H bond donor: 1
Smile: CC/C(=C\c1[n+](c2cc(ccc2o1)c3ccccc3)CCOS(=O)(=O)[O-])/C=C/4\N(c5cc(ccc5O4)c6ccccc6)CCOS(=O)(=O)O
InChi: InChI=1S/C35H32N2O10S2/c1-2-25(21-34-36(17-19-44-48(38,39)40)30-23-28(13-15-32(30)46-34)26-9-5-3-6-10-26)22-35-37(18-20-45-49(41,42)43)31-24-29(14-16-33(31)47-35)27-11-7-4-8-12-27/h3-16,21-24H,2,17-20H2,1H3,(H-,38,39,40,41,42,43)
InChiKey: InChIKey=ASAYNBUFMMWEBS-UHFFFAOYSA-N

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