sodium 2-isothiocyanatonaphthalene-1-sulfonate

Systemtic Name: sodium 2-isothiocyanatonaphthalene-1-sulfonate Openeye Name: sodium 2-isothiocyanatonaphthalene-1-sulfonate CAS Name: sodium 2-isothiocyanato-1-naphthalenesulfonate IUPAC Name: sodium 2-isothiocyanatonaphthalene-1-sulfonate Traditional Name: sodium 2-isothiocyanatonaphthalene-1-sulfonate Formula: C11H6NNaO3S2 MolecularWeight: 287.29001

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N=C=S.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N=C=S.[Na+]

InChI

InChI=1S/C11H7NO3S2.Na/c13-17(14,15)11-9-4-2-1-3-8(9)5-6-10(11)12-7-16;/h1-6H,(H,13,14,15);/q;+1/p-1