1-hydroxyethyl 4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; sulfurofluoridic acid

Systemtic Name: 1-hydroxyethyl 4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; sulfurofluoridic acid Openeye Name: 1-hydroxyethyl 4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; sulfurofluoridic acid CAS Name: 4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 1-hydroxyethyl ester; sulfurofluoridic acid IUPAC Name: 1-hydroxyethyl 4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; sulfurofluoridic acid Traditional Name: 7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 1-hydroxyethyl ester; sulfurofluoridic acid Formula: C60H79FN6O27S MolecularWeight: 1367.356663

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1CC2=O)C(=O)OC(C)O.CC1C=C(N2C1CC2=O)C(=O)OC(C)O.CC1C=C(N2C1CC2=O)C(=O)OC(C)O.CC1C=C(N2C1CC2=O)C(=O)OC(C)O.CC1C=C(N2C1CC2=O)C(=O)OC(C)O.CC1C=C(N2C1CC2=O)C(=O)OC(C)O.OS(=O)(=O)F

Isomeric SMILES

CC1C=C(N2C1CC2=O)C(=O)OC(C)O.CC1C=C(N2C1CC2=O)C(=O)OC(C)O.CC1C=C(N2C1CC2=O)C(=O)OC(C)O.CC1C=C(N2C1CC2=O)C(=O)OC(C)O.CC1C=C(N2C1CC2=O)C(=O)OC(C)O.CC1C=C(N2C1CC2=O)C(=O)OC(C)O.OS(=O)(=O)F

InChI

InChI=1S/6C10H13NO4.FHO3S/c6*1-5-3-8(10(14)15-6(2)12)11-7(5)4-9(11)13;1-5(2,3)4/h6*3,5-7,12H,4H2,1-2H3;(H,2,3,4)