2-isothiocyanatobenzene-1,4-disulfonic acid

Systemtic Name: 2-isothiocyanatobenzene-1,4-disulfonic acid Openeye Name: 2-isothiocyanatobenzene-1,4-disulfonic acid CAS Name: 2-isothiocyanatobenzene-1,4-disulfonic acid IUPAC Name: 2-isothiocyanatobenzene-1,4-disulfonic acid Traditional Name: 2-isothiocyanatobenzene-1,4-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)N=C=S)S(=O)(=O)O

Isomeric SMILES

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

InChI

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