Structure Information
Structure

Compound Identification

SMILES

[Ca++].OC1=CC(=C(O)C=C1)S([O-])(=O)=O.OC1=CC(=C(O)C=C1)S([O-])(=O)=O.CCN(CC)CC(=O)NC1=C(C)C=CC=C1C.CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(C)=O

InChIKey

InChIKey=XEJLOZIIJDYLQR-UHFFFAOYSA-L

Formula

C50H63CaFN2O17S2

Mass

1087.25

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Entity with smiles [Ca++].OC1=CC(=C(O)C=C1)S([O-])(=O)=O.OC1=CC(=C(O)C=C1)S([O-])(=O)=O.CCN(CC)CC(=O)NC1=C(C)C=CC=C1C.CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(C)=O has not been classified yet.

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