sodium 4-methyl-2-sulfo-benzene-3-ide-1-carboxylic acid

Systemtic Name: sodium 4-methyl-2-sulfo-benzene-3-ide-1-carboxylic acid Openeye Name: sodium 4-methyl-2-sulfo-benzene-3-ide-1-carboxylic acid CAS Name: sodium 4-methyl-2-sulfo-1-benzene-3-idecarboxylic acid IUPAC Name: sodium 4-methyl-2-sulfobenzene-3-ide-1-carboxylic acid Traditional Name: sodium 4-methyl-2-sulfo-benzene-3-ide-1-carboxylic acid Formula: C8H7NaO5S MolecularWeight: 238.19295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7O5S.Na/c1-5-2-3-6(8(9)10)7(4-5)14(11,12)13;/h2-3H,1H3,(H,9,10)(H,11,12,13);/q-1;+1