[3-(hydroxymethyl)-4-oxidanyl-5-(sulfomethyl)phenyl]methanesulfonic acid

Systemtic Name: [3-(hydroxymethyl)-4-oxidanyl-5-(sulfomethyl)phenyl]methanesulfonic acid Openeye Name: [4-hydroxy-3-(hydroxymethyl)-5-(sulfomethyl)phenyl]methanesulfonic acid CAS Name: [4-hydroxy-3-(hydroxymethyl)-5-(sulfomethyl)phenyl]methanesulfonic acid IUPAC Name: [4-hydroxy-3-(hydroxymethyl)-5-(sulfomethyl)phenyl]methanesulfonic acid Traditional Name: [4-hydroxy-3-methylol-5-(sulfomethyl)phenyl]methanesulfonic acid Formula: C9H12O8S2 MolecularWeight: 312.31678

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CO)O)CS(=O)(=O)O)CS(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1CO)O)CS(=O)(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C9H12O8S2/c10-3-7-1-6(4-18(12,13)14)2-8(9(7)11)5-19(15,16)17/h1-2,10-11H,3-5H2,(H,12,13,14)(H,15,16,17)