Basic Information |
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Product Name: | 3,3-DIMETHYL-2-[2-[2-CHLORO-3-[2-[1,3-DIHYDRO-3,3-DIMETHYL-5-SULFO-1-(4-SULFOBUTYL)-2H-INDOL-2-YLIDENE]ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-5-SULFO-1-(4-SULFOBUTYL)-3H-INDOLIUM INNER SALT TRISODIUM SALT |
CAS: | 162093-39-2 |
English Synonyms: | TRISODIUM 2-(2-(2-CHLORO-3-(2-(3,3-DIMETHYL-5-SULFONATO-1-(4-SULFONATOBUTYL)INDOLIN-2-YLIDENE)ETHYLIDENE)CYCLOHEX-1-ENYL)VINYL)-3,3-DIMETHYL-1-(4-SULFONATOBUTYL)-3H-INDOLIUM-5-SULFONATE ; 3,3-DIMETHYL-2-[2-[2-CHLORO-3-[2-[1,3-DIHYDRO-3,3-DIMETHYL-5-SULFO-1-(4-SULFOBUTYL)-2H-INDOL-2-YLIDENE]ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-5-SULFO-1-(4-SULFOBUTYL)-3H-INDOLIUM INNER SALT TRISODIUM SALT |
MDL Number.: | MFCD11114409 |
H bond acceptor: | 14 |
H bond donor: | 0 |
Smile: | CC1(c2cc(ccc2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(c5cc(ccc5N4CCCCS(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)/CCC3)Cl)CCCCS(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+] |
InChi: | InChI=1S/C38H47ClN2O12S4.3Na/c1-37(2)30-24-28(56(48,49)50)14-16-32(30)40(20-5-7-22-54(42,43)44)34(37)18-12-26-10-9-11-27(36(26)39)13-19-35-38(3,4)31-25-29(57(51,52)53)15-17-33(31)41(35)21-6-8-23-55(45,46)47;;;/h12-19,24-25H,5-11,20-23H2,1-4H3,(H3-,42,43,44,45,46,47,48,49,50,51,52,53);;;/q;3*+1/p-3 |
InChiKey: | InChIKey=RNYJFPBIWHZDBN-UHFFFAOYSA-K |
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