| Name： | 4-SULFONIC-CALIX[6]ARENE HYDRATE |
| CAS： | 205652-55-7 ;102088-39-1 |
| Synonyms： | 4-SULFOCALIX[6]ARENE HYDRATE ; 4-SULFONIC-CALIX[6]ARENE HYDRATE ; HEXAHYDROXYCALIX[6]ARENEHEXASULFONIC ACID HYDRATE ; CALIX[6]ARENE-4-SULFONIC ACID HYDRATE |
| MDL.： | MFCD00216907 |
| H bond acceptor： | 24 |
| H bond donor： | 12 |
| Smile： | c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O.O |
| InChi： | InChI=1S/C42H36O24S6.H2O/c43-37-19-1-20-8-32(68(52,53)54)10-22(38(20)44)3-24-12-34(70(58,59)60)14-26(40(24)46)5-28-16-36(72(64,65)66)18-30(42(28)48)6-29-17-35(71(61,62)63)15-27(41(29)47)4-25-13-33(69(55,56)57)11-23(39(25)45)2-21(37)9-31(7-19)67(49,50)51;/h7-18,43-48H,1-6H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66);1H2 |
| InChiKey： | InChIKey=SWWAZWAJPNREHZ-UHFFFAOYSA-N |
Property |
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| Melting Point： | APPROX 246 DEG C DEC |
| Comments： | BRN: 5231405 HAZARD: R 36/37/38 HAZARD: S 26-37 IRRITANT UNSPSC: 12352106 |
Safety information |
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4-SULFONIC-CALIX[6]ARENE HYDRATE
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