sodium 4-isothiocyanatonaphthalene-1-sulfonic acid

Systemtic Name: sodium 4-isothiocyanatonaphthalene-1-sulfonic acid Openeye Name: sodium 4-isothiocyanatonaphthalene-1-sulfonic acid CAS Name: sodium 4-isothiocyanato-1-naphthalenesulfonic acid IUPAC Name: sodium 4-isothiocyanatonaphthalene-1-sulfonic acid Traditional Name: sodium 4-isothiocyanatonaphthalene-1-sulfonic acid Formula: C11H7NNaO3S2+ MolecularWeight: 288.29795

Click to see the large picture

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)11-6-5-10(12-7-16)8-3-1-2-4-9(8)11;/h1-6H,(H,13,14,15);/q;+1