sodium (4-isothiocyanato-7-phosphono-naphthalen-1-yl)phosphonic acid

Systemtic Name: sodium (4-isothiocyanato-7-phosphono-naphthalen-1-yl)phosphonic acid Openeye Name: sodium (4-isothiocyanato-7-phosphono-1-naphthyl)phosphonic acid CAS Name: sodium (4-isothiocyanato-7-phosphono-1-naphthalenyl)phosphonic acid IUPAC Name: sodium (4-isothiocyanato-7-phosphononaphthalen-1-yl)phosphonic acid Traditional Name: sodium (4-isothiocyanato-7-phosphono-1-naphthyl)phosphonic acid Formula: C11H9NNaO6P2S+ MolecularWeight: 368.194552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C=C1P(=O)(O)O)P(=O)(O)O)N=C=S.[Na+]

Isomeric SMILES

C1=CC2=C(C=CC(=C2C=C1P(=O)(O)O)P(=O)(O)O)N=C=S.[Na+]

InChI

InChI=1S/C11H9NO6P2S.Na/c13-19(14,15)7-1-2-8-9(5-7)11(20(16,17)18)4-3-10(8)12-6-21;/h1-5H,(H2,13,14,15)(H2,16,17,18);/q;+1