1-(3,4-dimethoxyphenyl)-3-oxidanyl-propane-1,3-disulfonic acid

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-oxidanyl-propane-1,3-disulfonic acid Openeye Name: 1-(3,4-dimethoxyphenyl)-3-hydroxy-propane-1,3-disulfonic acid CAS Name: 1-(3,4-dimethoxyphenyl)-3-hydroxypropane-1,3-disulfonic acid IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-hydroxypropane-1,3-disulfonic acid Traditional Name: 1-(3,4-dimethoxyphenyl)-3-hydroxy-propane-1,3-disulfonic acid Formula: C11H16O9S2 MolecularWeight: 356.36934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(O)S(=O)(=O)O)S(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(O)S(=O)(=O)O)S(=O)(=O)O)OC

InChI

InChI=1S/C11H16O9S2/c1-19-8-4-3-7(5-9(8)20-2)10(21(13,14)15)6-11(12)22(16,17)18/h3-5,10-12H,6H2,1-2H3,(H,13,14,15)(H,16,17,18)