sodium 8-isothiocyanatonaphthalene-1,3,6-trisulfonic acid

Systemtic Name: sodium 8-isothiocyanatonaphthalene-1,3,6-trisulfonic acid Openeye Name: sodium 8-isothiocyanatonaphthalene-1,3,6-trisulfonic acid CAS Name: sodium 8-isothiocyanatonaphthalene-1,3,6-trisulfonic acid IUPAC Name: sodium 8-isothiocyanatonaphthalene-1,3,6-trisulfonic acid Traditional Name: sodium 8-isothiocyanatonaphthalene-1,3,6-trisulfonic acid Formula: C11H7NNaO9S4+ MolecularWeight: 448.42435

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N=C=S)S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N=C=S)S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C11H7NO9S4.Na/c13-23(14,15)7-1-6-2-8(24(16,17)18)4-10(25(19,20)21)11(6)9(3-7)12-5-22;/h1-4H,(H,13,14,15)(H,16,17,18)(H,19,20,21);/q;+1