4-isothiocyanatonaphthalene-2,7-disulfonic acid

Systemtic Name: 4-isothiocyanatonaphthalene-2,7-disulfonic acid Openeye Name: 4-isothiocyanatonaphthalene-2,7-disulfonic acid CAS Name: 4-isothiocyanatonaphthalene-2,7-disulfonic acid IUPAC Name: 4-isothiocyanatonaphthalene-2,7-disulfonic acid Traditional Name: 4-isothiocyanatonaphthalene-2,7-disulfonic acid Formula: C11H7NO6S3 MolecularWeight: 345.37138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)N=C=S

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)N=C=S

InChI

InChI=1S/C11H7NO6S3/c13-20(14,15)8-1-2-10-7(3-8)4-9(21(16,17)18)5-11(10)12-6-19/h1-5H,(H,13,14,15)(H,16,17,18)