sodium 2,3-dimethylbenzene-5-ide-1-sulfonic acid

Systemtic Name: sodium 2,3-dimethylbenzene-5-ide-1-sulfonic acid Openeye Name: sodium 2,3-dimethylbenzene-5-ide-1-sulfonic acid CAS Name: sodium 2,3-dimethyl-1-benzene-5-idesulfonic acid IUPAC Name: sodium 2,3-dimethylbenzene-5-ide-1-sulfonic acid Traditional Name: sodium 2,3-dimethylbenzene-5-ide-1-sulfonic acid Formula: C8H9NaO3S MolecularWeight: 208.21003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9O3S.Na/c1-6-4-3-5-8(7(6)2)12(9,10)11;/h4-5H,1-2H3,(H,9,10,11);/q-1;+1