sodium 2-ethyl-2-(3-sulfobenzene-2-id-1-yl)propanedioic acid

Systemtic Name: sodium 2-ethyl-2-(3-sulfobenzene-2-id-1-yl)propanedioic acid Openeye Name: sodium 2-ethyl-2-(3-sulfobenzene-2-id-1-yl)propanedioic acid CAS Name: sodium 2-ethyl-2-(3-sulfo-1-benzene-2-idyl)propanedioic acid IUPAC Name: sodium 2-ethyl-2-(3-sulfobenzene-2-id-1-yl)propanedioic acid Traditional Name: sodium 2-ethyl-2-(3-sulfobenzene-2-id-1-yl)malonic acid Formula: C11H11NaO7S MolecularWeight: 310.25561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11O7S.Na/c1-2-11(9(12)13,10(14)15)7-4-3-5-8(6-7)19(16,17)18;/h3-5H,2H2,1H3,(H,12,13)(H,14,15)(H,16,17,18);/q-1;+1