[1-(4-methylthiophen-2-yl)sulfanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-(4-methylthiophen-2-yl)sulfanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-[(4-methyl-2-thienyl)sulfanyl]-1-phosphono-ethyl]phosphonic acid CAS Name: [1-[(4-methyl-2-thiophenyl)thio]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-(4-methylthiophen-2-yl)sulfanyl-1-phosphonoethyl]phosphonic acid Traditional Name: [1-[(4-methyl-2-thienyl)thio]-1-phosphono-ethyl]phosphonic acid Formula: C7H12O6P2S2 MolecularWeight: 318.244102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)SC(C)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CSC(=C1)SC(C)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H12O6P2S2/c1-5-3-6(16-4-5)17-7(2,14(8,9)10)15(11,12)13/h3-4H,1-2H3,(H2,8,9,10)(H2,11,12,13)