2-[(2-methylpropan-2-yl)oxycarbonyloxy]-4,4-diphosphono-butanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-4,4-diphosphono-butanoic acid Openeye Name: 2-tert-butoxycarbonyloxy-4,4-diphosphono-butanoic acid CAS Name: 2-[(2-methylpropan-2-yl)oxy-oxomethoxy]-4,4-diphosphonobutanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyloxy]-4,4-diphosphonobutanoic acid Traditional Name: 2-tert-butoxycarbonyloxy-4,4-diphosphono-butyric acid Formula: C9H18O11P2 MolecularWeight: 364.180142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC(CC(P(=O)(O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)OC(CC(P(=O)(O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C9H18O11P2/c1-9(2,3)20-8(12)19-5(7(10)11)4-6(21(13,14)15)22(16,17)18/h5-6H,4H2,1-3H3,(H,10,11)(H2,13,14,15)(H2,16,17,18)