butane; 2-phosphonoethanoate

Systemtic Name: butane; 2-phosphonoethanoate Openeye Name: butane; 2-phosphonoacetate CAS Name: butane; 2-phosphonoacetate IUPAC Name: butane; 2-phosphonoacetate Traditional Name: n-butane; 2-phosphonoacetate Formula: C6H14O5P- MolecularWeight: 197.146121

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C(C(=O)[O-])P(=O)(O)O

Isomeric SMILES

CCCC.C(C(=O)[O-])P(=O)(O)O

InChI

InChI=1S/C4H10.C2H5O5P/c1-3-4-2;3-2(4)1-8(5,6)7/h3-4H2,1-2H3;1H2,(H,3,4)(H2,5,6,7)/p-1