3-methylpentane; 2-phosphonoethanoate

Systemtic Name: 3-methylpentane; 2-phosphonoethanoate Openeye Name: 3-methylpentane; 2-phosphonoacetate CAS Name: 3-methylpentane; 2-phosphonoacetate IUPAC Name: 3-methylpentane; 2-phosphonoacetate Traditional Name: 3-methylpentane; 2-phosphonoacetate Formula: C8H18O5P- MolecularWeight: 225.199281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC.C(C(=O)[O-])P(=O)(O)O

Isomeric SMILES

CCC(C)CC.C(C(=O)[O-])P(=O)(O)O

InChI

InChI=1S/C6H14.C2H5O5P/c1-4-6(3)5-2;3-2(4)1-8(5,6)7/h6H,4-5H2,1-3H3;1H2,(H,3,4)(H2,5,6,7)/p-1