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

Systemtic Name: [2-(4-methylthiophen-2-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(4-methyl-2-thienyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(4-methyl-2-thiophenyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(4-methylthiophen-2-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(4-methyl-2-thienyl)-1-phosphono-ethyl]phosphonic acid Formula: C7H12O6P2S MolecularWeight: 286.179102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CSC(=C1)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H12O6P2S/c1-5-2-6(16-4-5)3-7(14(8,9)10)15(11,12)13/h2,4,7H,3H2,1H3,(H2,8,9,10)(H2,11,12,13)