sodium 5-isothiocyanatobenzene-1,3-disulfonic acid

Systemtic Name: sodium 5-isothiocyanatobenzene-1,3-disulfonic acid Openeye Name: sodium 5-isothiocyanatobenzene-1,3-disulfonic acid CAS Name: sodium 5-isothiocyanatobenzene-1,3-disulfonic acid IUPAC Name: sodium 5-isothiocyanatobenzene-1,3-disulfonic acid Traditional Name: sodium 5-isothiocyanatobenzene-1,3-disulfonic acid Formula: C7H5NNaO6S3+ MolecularWeight: 318.30247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5NO6S3.Na/c9-16(10,11)6-1-5(8-4-15)2-7(3-6)17(12,13)14;/h1-3H,(H,9,10,11)(H,12,13,14);/q;+1