4-[[2,2-dimethyl-1,3-bis(oxidanyl)propyl]-oxidanidyl-phosphoryl]butanoate

Systemtic Name: 4-[[2,2-dimethyl-1,3-bis(oxidanyl)propyl]-oxidanidyl-phosphoryl]butanoate Openeye Name: 4-[(1,3-dihydroxy-2,2-dimethyl-propyl)-oxido-phosphoryl]butanoate CAS Name: 4-[(1,3-dihydroxy-2,2-dimethylpropyl)-oxidophosphoryl]butanoate IUPAC Name: 4-[(1,3-dihydroxy-2,2-dimethylpropyl)-oxidophosphoryl]butanoate Traditional Name: 4-[(1,3-dihydroxy-2,2-dimethyl-propyl)-oxido-phosphoryl]butyrate Formula: C9H17O6P-2 MolecularWeight: 252.201441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(O)P(=O)(CCCC(=O)[O-])[O-]

Isomeric SMILES

CC(C)(CO)C(O)P(=O)(CCCC(=O)[O-])[O-]

InChI

InChI=1S/C9H19O6P/c1-9(2,6-10)8(13)16(14,15)5-3-4-7(11)12/h8,10,13H,3-6H2,1-2H3,(H,11,12)(H,14,15)/p-2