4-isothiocyanatobenzene-1,3-disulfonic acid

Systemtic Name: 4-isothiocyanatobenzene-1,3-disulfonic acid Openeye Name: 4-isothiocyanatobenzene-1,3-disulfonic acid CAS Name: 4-isothiocyanatobenzene-1,3-disulfonic acid IUPAC Name: 4-isothiocyanatobenzene-1,3-disulfonic acid Traditional Name: 4-isothiocyanatobenzene-1,3-disulfonic acid Formula: C7H5NO6S3 MolecularWeight: 295.3127

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)N=C=S

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)N=C=S

InChI

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