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DIPHOSPHONATE-CAVITAND
SpectraBase Compound ID 3qEKNqxwkIL
InChI InChI=1S/C90H102N8O22P2/c1-15-47-51-29-53-48(16-2)55-31-57-50(18-4)58-32-56-49(17-3)54-30-52(47)68-42-70(54)116-78-36-62(94-86(102)22-8)64(96-88(104)24-10)38-80(78)118-72(56)44-74(58)120-82-40-66(98-90(106)46-122(108,111-27-13)112-28-14)65(97-89(105)45-121(107,109-25-11)110-26-12)39-81(82)119-73(57)43-71(55)117-79-37-63(95-87(103)23-9)61(93-85(101)21-7)35-77(79)115-69(53)41-67(51)113-75-33-59(91-83(99)19-5)60(34-76(75)114-68)92-84(100)20-6/h29-44,47-50H,15-28,45-46H2,1-14H3,(H,91,99)(H,92,100)(H,93,101)(H,94,102)(H,95,103)(H,96,104)(H,97,105)(H,98,106)
InChIKey PCTUOIPCNVEDQG-UHFFFAOYSA-N
Mol Weight 1709.8 g/mol
Molecular Formula C90H102N8O22P2
Exact Mass 1708.658391 g/mol
Unknown Identification

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