3-(hydroxymethyl)-2H-1,4-benzodioxine-2,3-disulfonic acid

Systemtic Name: 3-(hydroxymethyl)-2H-1,4-benzodioxine-2,3-disulfonic acid Openeye Name: 3-(hydroxymethyl)-2H-1,4-benzodioxine-2,3-disulfonic acid CAS Name: 3-(hydroxymethyl)-2H-1,4-benzodioxin-2,3-disulfonic acid IUPAC Name: 3-(hydroxymethyl)-2H-1,4-benzodioxine-2,3-disulfonic acid Traditional Name: 3-methylol-2H-1,4-benzodioxin-2,3-disulfonic acid Formula: C9H10O9S2 MolecularWeight: 326.3003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC(C(O2)(CO)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)OC(C(O2)(CO)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C9H10O9S2/c10-5-9(20(14,15)16)8(19(11,12)13)17-6-3-1-2-4-7(6)18-9/h1-4,8,10H,5H2,(H,11,12,13)(H,14,15,16)