trisodium 5-sulfonatonaphthalene-1,4-dicarboxylate

Systemtic Name: trisodium 5-sulfonatonaphthalene-1,4-dicarboxylate Openeye Name: trisodium 5-sulfonatonaphthalene-1,4-dicarboxylate CAS Name: trisodium 5-sulfonatonaphthalene-1,4-dicarboxylate IUPAC Name: trisodium 5-sulfonatonaphthalene-1,4-dicarboxylate Traditional Name: trisodium 5-sulfonatonaphthalene-1,4-dicarboxylate Formula: C12H5Na3O7S MolecularWeight: 362.19821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

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