trisodium benzene-1,3,5-trisulfonate trihydrate

Systemtic Name: trisodium benzene-1,3,5-trisulfonate trihydrate Openeye Name: trisodium benzene-1,3,5-trisulfonate trihydrate CAS Name: trisodium benzene-1,3,5-trisulfonate trihydrate IUPAC Name: trisodium benzene-1,3,5-trisulfonate trihydrate Traditional Name: trisodium benzene-1,3,5-trisulfonate trihydrate Formula: C6H9Na3O12S3 MolecularWeight: 438.29277

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].O.O.O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=C(C=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].O.O.O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C6H6O9S3.3Na.3H2O/c7-16(8,9)4-1-5(17(10,11)12)3-6(2-4)18(13,14)15;;;;;;/h1-3H,(H,7,8,9)(H,10,11,12)(H,13,14,15);;;;3*1H2/q;3*+1;;;/p-3