sodium 2,4-dimethyl-5-sulfo-benzene-6-ide-1,3-dicarboxylate

Systemtic Name: sodium 2,4-dimethyl-5-sulfo-benzene-6-ide-1,3-dicarboxylate Openeye Name: sodium 2,4-dimethyl-5-sulfo-benzene-6-ide-1,3-dicarboxylate CAS Name: sodium 2,4-dimethyl-5-sulfobenzene-6-ide-1,3-dicarboxylate IUPAC Name: sodium 2,4-dimethyl-5-sulfobenzene-6-ide-1,3-dicarboxylate Traditional Name: sodium 2,4-dimethyl-5-sulfo-benzene-6-ide-1,3-dicarboxylate Formula: C10H7NaO7S-2 MolecularWeight: 294.21315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C([C-]=C1C(=O)[O-])S(=O)(=O)O)C)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=C([C-]=C1C(=O)[O-])S(=O)(=O)O)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C10H9O7S.Na/c1-4-6(9(11)12)3-7(18(15,16)17)5(2)8(4)10(13)14;/h1-2H3,(H,11,12)(H,13,14)(H,15,16,17);/q-1;+1/p-2