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Molecular Formula: C54H85ClN24O12
Molecular weight: 1297.8593
InChi: InChI=1S/C54H84N24O12.ClH/c1-13-55-31-32(56(14-2)43(55)79)68-26-70-35-36(60(18-6)45(81)59(35)17-5)72(51(70)87)28-74-39-40(64(22-10)47(83)63(39)21-9)76(53(74)89)30-78-42-41(65(23-11)48(84)66(42)24-12)77(54(78)90)29-75-38-37(61(19-7)46(82)62(38)20-8)73(52(75)88)27-71-34-33(57(15-3)44(80)58(34)16-4)69(50(71)86)25-67(31)49(68)85;/h31-42H,13-30H2,1-12H3;1H/t31-,32+,33+,34-,35-,36+,37+,38-,39-,40+,41+,42-;
InChi Key: IOYXQZZJWGMWJY-DZCREXOKSA-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)N3CC)CC)[C@@H]3[C@H]7N(C(=O)N3CC)CC)C1=O)N(C(=O)N6CC)CC)N(C(=O)N5CC)CC)N(C(=O)N4CC)CC)N(C(=O)N2CC)CC.Cl
Chemical Name
dodecaethylbambus[6]uril hydrochloride
External Links
PubChem