[2-(hydroxymethyl)furan-3-yl]methanol; 2-(2-sulfophenyl)benzenesulfonic acid

Systemtic Name: [2-(hydroxymethyl)furan-3-yl]methanol; 2-(2-sulfophenyl)benzenesulfonic acid Openeye Name: [2-(hydroxymethyl)-3-furyl]methanol; 2-(2-sulfophenyl)benzenesulfonic acid CAS Name: [2-(hydroxymethyl)-3-furanyl]methanol; 2-(2-sulfophenyl)benzenesulfonic acid IUPAC Name: [2-(hydroxymethyl)furan-3-yl]methanol; 2-(2-sulfophenyl)benzenesulfonic acid Traditional Name: (2-methylol-3-furyl)methanol; 2-(2-sulfophenyl)besylic acid Formula: C18H18O9S2 MolecularWeight: 442.46012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=CC=C2S(=O)(=O)O)S(=O)(=O)O.C1=COC(=C1CO)CO

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2S(=O)(=O)O)S(=O)(=O)O.C1=COC(=C1CO)CO

InChI

InChI=1S/C12H10O6S2.C6H8O3/c13-19(14,15)11-7-3-1-5-9(11)10-6-2-4-8-12(10)20(16,17)18;7-3-5-1-2-9-6(5)4-8/h1-8H,(H,13,14,15)(H,16,17,18);1-2,7-8H,3-4H2