sodium [3-(hydroxymethyl)-4-oxidanyl-5-(sulfonatomethyl)phenyl]methanesulfonate

Systemtic Name: sodium [3-(hydroxymethyl)-4-oxidanyl-5-(sulfonatomethyl)phenyl]methanesulfonate Openeye Name: sodium [4-hydroxy-3-(hydroxymethyl)-5-(sulfonatomethyl)phenyl]methanesulfonate CAS Name: sodium [4-hydroxy-3-(hydroxymethyl)-5-(sulfonatomethyl)phenyl]methanesulfonate IUPAC Name: sodium [4-hydroxy-3-(hydroxymethyl)-5-(sulfonatomethyl)phenyl]methanesulfonate Traditional Name: sodium [4-hydroxy-3-methylol-5-(sulfonatomethyl)phenyl]methanesulfonate Formula: C9H10NaO8S2- MolecularWeight: 333.29067

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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-].[Na+]

Isomeric SMILES

C1=C(C=C(C(=C1CO)O)CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H12O8S2.Na/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);/q;+1/p-2