Structure Information
Structure

Compound Identification

SMILES

[Br-].OS(O)(=O)=O.CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1.C[N+]1(C)C2CC(CC1[C@@H]1O[C@H]21)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1.CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF

InChIKey

InChIKey=JXIQOAZQGBZCEZ-QKPIEBMESA-M

Formula

C56H74BrF3N2O16S4

Mass

1296.35

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Entity with smiles [Br-].OS(O)(=O)=O.CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1.C[N+]1(C)C2CC(CC1[C@@H]1O[C@H]21)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1.CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF has not been classified yet.

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