sodium (2-methoxy-4-methylsulfanyl-phenyl)-oxidanyl-methanesulfonate

Systemtic Name: sodium (2-methoxy-4-methylsulfanyl-phenyl)-oxidanyl-methanesulfonate Openeye Name: sodium hydroxy-(2-methoxy-4-methylsulfanyl-phenyl)methanesulfonate CAS Name: sodium hydroxy-[2-methoxy-4-(methylthio)phenyl]methanesulfonate IUPAC Name: sodium hydroxy-(2-methoxy-4-methylsulfanylphenyl)methanesulfonate Traditional Name: sodium hydroxy-[2-methoxy-4-(methylthio)phenyl]methanesulfonate Formula: C9H11NaO5S2 MolecularWeight: 286.30041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H12O5S2.Na/c1-14-8-5-6(15-2)3-4-7(8)9(10)16(11,12)13;/h3-5,9-10H,1-2H3,(H,11,12,13);/q;+1/p-1