sodium 2-(4-methyl-2-sulfo-phenoxy)ethanoate

Systemtic Name: sodium 2-(4-methyl-2-sulfo-phenoxy)ethanoate Openeye Name: sodium 2-(4-methyl-2-sulfo-phenoxy)acetate CAS Name: sodium 2-(4-methyl-2-sulfophenoxy)acetate IUPAC Name: sodium 2-(4-methyl-2-sulfophenoxy)acetate Traditional Name: sodium 2-(4-methyl-2-sulfo-phenoxy)acetate Formula: C9H9NaO6S MolecularWeight: 268.21893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C9H10O6S.Na/c1-6-2-3-7(15-5-9(10)11)8(4-6)16(12,13)14;/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14);/q;+1/p-1