sodium 2-(4-methanidylphenoxy)ethanesulfonic acid

Systemtic Name: sodium 2-(4-methanidylphenoxy)ethanesulfonic acid Openeye Name: sodium 2-(4-methanidylphenoxy)ethanesulfonic acid CAS Name: sodium 2-(4-methanidylphenoxy)ethanesulfonic acid IUPAC Name: sodium 2-(4-methanidylphenoxy)ethanesulfonic acid Traditional Name: sodium 2-(4-methanidylphenoxy)ethanesulfonic acid Formula: C9H11NaO4S MolecularWeight: 238.23601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C1=CC=C(C=C1)OCCS(=O)(=O)O.[Na+]

Isomeric SMILES

[CH2-]C1=CC=C(C=C1)OCCS(=O)(=O)O.[Na+]

InChI

InChI=1S/C9H11O4S.Na/c1-8-2-4-9(5-3-8)13-6-7-14(10,11)12;/h2-5H,1,6-7H2,(H,10,11,12);/q-1;+1