trisodium 3-sulfonatophthalate

Systemtic Name: trisodium 3-sulfonatophthalate Openeye Name: trisodium 3-sulfonatophthalate CAS Name: trisodium 3-sulfonatophthalate IUPAC Name: trisodium 3-sulfonatophthalate Traditional Name: trisodium 3-sulfonatophthalate Formula: C8H3Na3O7S MolecularWeight: 312.13953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O7S.3Na/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12;;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);;;/q;3*+1/p-3