sodium [(4-methylsulfanylphenyl)sulfanyl-phosphono-methyl]phosphonic acid

Systemtic Name: sodium [(4-methylsulfanylphenyl)sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: sodium [(4-methylsulfanylphenyl)sulfanyl-phosphono-methyl]phosphonic acid CAS Name: sodium [[[4-(methylthio)phenyl]thio]-phosphonomethyl]phosphonic acid IUPAC Name: sodium [(4-methylsulfanylphenyl)sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: sodium [[[4-(methylthio)phenyl]thio]-phosphono-methyl]phosphonic acid Formula: C8H12NaO6P2S2+ MolecularWeight: 353.244572

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)SC(P(=O)(O)O)P(=O)(O)O.[Na+]

Isomeric SMILES

CSC1=CC=C(C=C1)SC(P(=O)(O)O)P(=O)(O)O.[Na+]

InChI

InChI=1S/C8H12O6P2S2.Na/c1-17-6-2-4-7(5-3-6)18-8(15(9,10)11)16(12,13)14;/h2-5,8H,1H3,(H2,9,10,11)(H2,12,13,14);/q;+1