tetrasodium 2-(3,4-dihydro-2H-thiochromen-4-yl)-1,1-diphosphonato-ethanol

Systemtic Name: tetrasodium 2-(3,4-dihydro-2H-thiochromen-4-yl)-1,1-diphosphonato-ethanol Openeye Name: tetrasodium 1,1-diphosphonato-2-thiochroman-4-yl-ethanol CAS Name: tetrasodium 2-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1,1-diphosphonatoethanol IUPAC Name: tetrasodium 2-(3,4-dihydro-2H-thiochromen-4-yl)-1,1-diphosphonatoethanol Traditional Name: tetrasodium 1,1-diphosphonato-2-thiochroman-4-yl-ethanol Formula: C11H12Na4O7P2S MolecularWeight: 442.180382

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1CSC2=CC=CC=C2C1CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C11H16O7P2S.4Na/c12-11(19(13,14)15,20(16,17)18)7-8-5-6-21-10-4-2-1-3-9(8)10;;;;/h1-4,8,12H,5-7H2,(H2,13,14,15)(H2,16,17,18);;;;/q;4*+1/p-4