[2-(4-methylsulfanylphenyl)-1-phosphono-ethenyl]phosphonic acid

Systemtic Name: [2-(4-methylsulfanylphenyl)-1-phosphono-ethenyl]phosphonic acid Openeye Name: [2-(4-methylsulfanylphenyl)-1-phosphono-vinyl]phosphonic acid CAS Name: [2-[4-(methylthio)phenyl]-1-phosphonoethenyl]phosphonic acid IUPAC Name: [2-(4-methylsulfanylphenyl)-1-phosphonoethenyl]phosphonic acid Traditional Name: [2-[4-(methylthio)phenyl]-1-phosphono-vinyl]phosphonic acid Formula: C9H12O6P2S MolecularWeight: 310.200502

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C=C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H12O6P2S/c1-18-8-4-2-7(3-5-8)6-9(16(10,11)12)17(13,14)15/h2-6H,1H3,(H2,10,11,12)(H2,13,14,15)