trisodium 3-sulfonatonaphthalene-1,2-dicarboxylate

Systemtic Name: trisodium 3-sulfonatonaphthalene-1,2-dicarboxylate Openeye Name: trisodium 3-sulfonatonaphthalene-1,2-dicarboxylate CAS Name: trisodium 3-sulfonatonaphthalene-1,2-dicarboxylate IUPAC Name: trisodium 3-sulfonatonaphthalene-1,2-dicarboxylate Traditional Name: trisodium 3-sulfonatonaphthalene-1,2-dicarboxylate Formula: C12H5Na3O7S MolecularWeight: 362.19821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=C2C(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2C(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H8O7S.3Na/c13-11(14)9-7-4-2-1-3-6(7)5-8(20(17,18)19)10(9)12(15)16;;;/h1-5H,(H,13,14)(H,15,16)(H,17,18,19);;;/q;3*+1/p-3