basic_info |
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| Product_Name: | 4,5-BENZO-5'-(IODOACETAMINOMETHYL)-1',3,3,3',3'-PENTAMETHYL-1-(4-SULFOBUTYL)INDODICARBOCYANINE |
| CAS: | 149021-66-9 |
| EnglishSynonyms: | NIR-664-IODOACETAMIDE ; 4,5-BENZO-5'-(IODOACETAMINOMETHYL)-1',3,3,3',3'-PENTAMETHYL-1-(4-SULFOBUTYL)INDODICARBOCYANINE |
| pro_mdlNumber: | MFCD01862918 |
| pro_acceptors: | 7 |
| pro_donors: | 1 |
| pro_smile: | CC\1(c2cc(ccc2N(/C1=C/C=C/C=C/C3=[N+](c4ccc5ccccc5c4C3(C)C)CCCCS(=O)(=O)[O-])C)CNC(=O)CI)C |
| InChi: | InChI=1S/C37H42IN3O4S/c1-36(2)29-23-26(25-39-34(42)24-38)17-19-30(29)40(5)32(36)15-7-6-8-16-33-37(3,4)35-28-14-10-9-13-27(28)18-20-31(35)41(33)21-11-12-22-46(43,44)45/h6-10,13-20,23H,11-12,21-22,24-25H2,1-5H3,(H-,39,42,43,44,45) |
| InChiKey: | InChIKey=DSOHJESYBPIQMM-UHFFFAOYSA-N |
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