trisodium 4-[azanyl(sulfonato)methyl]benzene-1,3-disulfonate

Systemtic Name: trisodium 4-[azanyl(sulfonato)methyl]benzene-1,3-disulfonate Openeye Name: trisodium 4-[amino(sulfonato)methyl]benzene-1,3-disulfonate CAS Name: trisodium 4-[amino(sulfonato)methyl]benzene-1,3-disulfonate IUPAC Name: trisodium 4-[amino(sulfonato)methyl]benzene-1,3-disulfonate Traditional Name: trisodium 4-[amino(sulfonato)methyl]benzene-1,3-disulfonate Formula: C7H6NNa3O9S3 MolecularWeight: 413.28815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9NO9S3.3Na/c8-7(20(15,16)17)5-2-1-4(18(9,10)11)3-6(5)19(12,13)14;;;/h1-3,7H,8H2,(H,9,10,11)(H,12,13,14)(H,15,16,17);;;/q;3*+1/p-3