trisodium 1,3-dimethyl-4-sulfonato-naphthalene-2,6-dicarboxylate

Systemtic Name: trisodium 1,3-dimethyl-4-sulfonato-naphthalene-2,6-dicarboxylate Openeye Name: trisodium 1,3-dimethyl-4-sulfonato-naphthalene-2,6-dicarboxylate CAS Name: trisodium 1,3-dimethyl-4-sulfonatonaphthalene-2,6-dicarboxylate IUPAC Name: trisodium 1,3-dimethyl-4-sulfonatonaphthalene-2,6-dicarboxylate Traditional Name: trisodium 1,3-dimethyl-4-sulfonato-naphthalene-2,6-dicarboxylate Formula: C14H9Na3O7S MolecularWeight: 390.25137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1C=CC(=C2)C(=O)[O-])S(=O)(=O)[O-])C)C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=C(C2=C1C=CC(=C2)C(=O)[O-])S(=O)(=O)[O-])C)C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C14H12O7S.3Na/c1-6-9-4-3-8(13(15)16)5-10(9)12(22(19,20)21)7(2)11(6)14(17)18;;;/h3-5H,1-2H3,(H,15,16)(H,17,18)(H,19,20,21);;;/q;3*+1/p-3