(4-oxidanylidene-1-phosphono-4-thiophen-2-yl-butyl)phosphonic acid

Systemtic Name: (4-oxidanylidene-1-phosphono-4-thiophen-2-yl-butyl)phosphonic acid Openeye Name: [4-oxo-1-phosphono-4-(2-thienyl)butyl]phosphonic acid CAS Name: (4-oxo-1-phosphono-4-thiophen-2-ylbutyl)phosphonic acid IUPAC Name: (4-oxo-1-phosphono-4-thiophen-2-ylbutyl)phosphonic acid Traditional Name: [4-keto-1-phosphono-4-(2-thienyl)butyl]phosphonic acid Formula: C8H12O7P2S MolecularWeight: 314.189202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CSC(=C1)C(=O)CCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H12O7P2S/c9-6(7-2-1-5-18-7)3-4-8(16(10,11)12)17(13,14)15/h1-2,5,8H,3-4H2,(H2,10,11,12)(H2,13,14,15)