6-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzodioxole-5-sulfonic acid

Systemtic Name: 6-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzodioxole-5-sulfonic acid Openeye Name: 6-(2-methoxy-2-oxo-ethyl)-1,3-benzodioxole-5-sulfonic acid CAS Name: 6-(2-methoxy-2-oxoethyl)-1,3-benzodioxole-5-sulfonic acid IUPAC Name: 6-(2-methoxy-2-oxoethyl)-1,3-benzodioxole-5-sulfonic acid Traditional Name: 6-(2-keto-2-methoxy-ethyl)-1,3-benzodioxole-5-sulfonic acid Formula: C10H10O7S MolecularWeight: 274.2472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1S(=O)(=O)O)OCO2

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1S(=O)(=O)O)OCO2

InChI

InChI=1S/C10H10O7S/c1-15-10(11)3-6-2-7-8(17-5-16-7)4-9(6)18(12,13)14/h2,4H,3,5H2,1H3,(H,12,13,14)