methyl 2-[4-[(2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)sulfonyl]-3-sulfanyl-phenyl]ethanoate

Systemtic Name: methyl 2-[4-[(2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)sulfonyl]-3-sulfanyl-phenyl]ethanoate Openeye Name: methyl 2-[4-[(2-oxido-1,2,5-oxadiazol-2-ium-3-yl)sulfonyl]-3-sulfanyl-phenyl]acetate CAS Name: 2-[3-mercapto-4-[(2-oxido-1,2,5-oxadiazol-2-ium-3-yl)sulfonyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(2-oxido-1,2,5-oxadiazol-2-ium-3-yl)sulfonyl]-3-sulfanylphenyl]acetate Traditional Name: 2-[3-mercapto-4-(2-oxidofurazan-2-ium-3-yl)sulfonyl-phenyl]acetic acid methyl ester Formula: C11H10N2O6S2 MolecularWeight: 330.3369

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=C(C=C1)S(=O)(=O)C2=[N+](ON=C2)[O-])S

Isomeric SMILES

COC(=O)CC1=CC(=C(C=C1)S(=O)(=O)C2=[N+](ON=C2)[O-])S

InChI

InChI=1S/C11H10N2O6S2/c1-18-11(14)5-7-2-3-9(8(20)4-7)21(16,17)10-6-12-19-13(10)15/h2-4,6,20H,5H2,1H3