disodium [(4-chlorophenyl)sulfanyl-phosphonato-methyl]phosphonic acid hydrate

Systemtic Name: disodium [(4-chlorophenyl)sulfanyl-phosphonato-methyl]phosphonic acid hydrate Openeye Name: disodium [(4-chlorophenyl)sulfanyl-phosphonato-methyl]phosphonic acid hydrate CAS Name: disodium [[(4-chlorophenyl)thio]-phosphonatomethyl]phosphonic acid hydrate IUPAC Name: disodium [(4-chlorophenyl)sulfanyl-phosphonatomethyl]phosphonic acid hydrate Traditional Name: disodium [[(4-chlorophenyl)thio]-phosphonato-methyl]phosphonic acid hydrate Formula: C7H9ClNa2O7P2S MolecularWeight: 380.587222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC(P(=O)(O)O)P(=O)([O-])[O-])Cl.O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1SC(P(=O)(O)O)P(=O)([O-])[O-])Cl.O.[Na+].[Na+]

InChI

InChI=1S/C7H9ClO6P2S.2Na.H2O/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;;/h1-4,7H,(H2,9,10,11)(H2,12,13,14);;;1H2/q;2*+1;/p-2