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Molecular Formula: C66H109ClN24O12
Molecular weight: 1466.17826
InChi: InChI=1S/C66H108N24O12.ClH/c1-13-25-67-43-44(68(26-14-2)55(67)91)80-38-82-47-48(72(30-18-6)57(93)71(47)29-17-5)84(63(82)99)40-86-51-52(76(34-22-10)59(95)75(51)33-21-9)88(65(86)101)42-90-54-53(77(35-23-11)60(96)78(54)36-24-12)89(66(90)102)41-87-50-49(73(31-19-7)58(94)74(50)32-20-8)85(64(87)100)39-83-46-45(81(62(83)98)37-79(43)61(80)97)69(27-15-3)56(92)70(46)28-16-4;/h43-54H,13-42H2,1-12H3;1H/t43-,44+,45+,46-,47-,48+,49+,50-,51-,52+,53+,54-;
InChi Key: FGMHYXUONWXIEP-WFACYUOJSA-N
SMILES: [C@H]12[C@H](N3C(=O)N1CN1[C@H]4[C@@H](N(C1=O)CN1[C@H]5[C@@H](N(C1=O)CN1[C@H]6[C@@H](N(CN7C(=O)N(CN8C(=O)N(C3)[C@@H]3[C@H]8N(C(=O)N3CCC)CCC)[C@@H]3[C@H]7N(C(=O)N3CCC)CCC)C1=O)N(C(=O)N6CCC)CCC)N(C(=O)N5CCC)CCC)N(C(=O)N4CCC)CCC)N(C(=O)N2CCC)CCC.Cl
Chemical Name
dodecapropylbambus[6]uril hydrochloride
External Links
PubChem