trisodium 2-sulfonatoterephthalate

Systemtic Name: trisodium 2-sulfonatoterephthalate Openeye Name: trisodium 2-sulfonatoterephthalate CAS Name: trisodium 2-sulfonatoterephthalate IUPAC Name: trisodium 2-sulfonatoterephthalate Traditional Name: trisodium 2-sulfonatoterephthalate Formula: C24H9Na3O21S3-6 MolecularWeight: 798.47997

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C8H6O7S.3Na/c3*9-7(10)4-1-2-5(8(11)12)6(3-4)16(13,14)15;;;/h3*1-3H,(H,9,10)(H,11,12)(H,13,14,15);;;/q;;;3*+1/p-9