2-methoxy-5-(4-oxidanylidene-1,2-oxazol-3-yl)benzene-1,3-disulfonic acid

Systemtic Name: 2-methoxy-5-(4-oxidanylidene-1,2-oxazol-3-yl)benzene-1,3-disulfonic acid Openeye Name: 2-methoxy-5-(4-oxoisoxazol-3-yl)benzene-1,3-disulfonic acid CAS Name: 2-methoxy-5-(4-oxo-3-isoxazolyl)benzene-1,3-disulfonic acid IUPAC Name: 2-methoxy-5-(4-oxo-1,2-oxazol-3-yl)benzene-1,3-disulfonic acid Traditional Name: 5-(4-keto-2-isoxazolin-3-yl)-2-methoxy-benzene-1,3-disulfonic acid Formula: C10H9NO9S2 MolecularWeight: 351.30976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1S(=O)(=O)O)C2=NOCC2=O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1S(=O)(=O)O)C2=NOCC2=O)S(=O)(=O)O

InChI

InChI=1S/C10H9NO9S2/c1-19-10-7(21(13,14)15)2-5(3-8(10)22(16,17)18)9-6(12)4-20-11-9/h2-3H,4H2,1H3,(H,13,14,15)(H,16,17,18)