sodium 2,6-bis(2-hydroxyethyloxycarbonyl)benzene-4-ide-1-sulfonic acid

Systemtic Name: sodium 2,6-bis(2-hydroxyethyloxycarbonyl)benzene-4-ide-1-sulfonic acid Openeye Name: sodium 2,6-bis(2-hydroxyethoxycarbonyl)benzene-4-ide-1-sulfonic acid CAS Name: sodium 2,6-bis[2-hydroxyethoxy(oxo)methyl]-1-benzene-4-idesulfonic acid IUPAC Name: sodium 2,6-bis(2-hydroxyethoxycarbonyl)benzene-4-ide-1-sulfonic acid Traditional Name: sodium 2,6-bis(2-hydroxyethoxycarbonyl)benzene-4-ide-1-sulfonic acid Formula: C12H13NaO9S MolecularWeight: 356.28099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=[C-]C=C(C(=C1C(=O)OCCO)S(=O)(=O)O)C(=O)OCCO.[Na+]

Isomeric SMILES

C1=[C-]C=C(C(=C1C(=O)OCCO)S(=O)(=O)O)C(=O)OCCO.[Na+]

InChI

InChI=1S/C12H13O9S.Na/c13-4-6-20-11(15)8-2-1-3-9(10(8)22(17,18)19)12(16)21-7-5-14;/h2-3,13-14H,4-7H2,(H,17,18,19);/q-1;+1