5-phenylpentanoic acid; 2-phosphonoethanoate

Systemtic Name: 5-phenylpentanoic acid; 2-phosphonoethanoate Openeye Name: 5-phenylpentanoic acid; 2-phosphonoacetate CAS Name: 5-phenylpentanoic acid; 2-phosphonoacetate IUPAC Name: 5-phenylpentanoic acid; 2-phosphonoacetate Traditional Name: 5-phenylvaleric acid; 2-phosphonoacetate Formula: C13H18O7P- MolecularWeight: 317.251581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(=O)O.C(C(=O)[O-])P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(=O)O.C(C(=O)[O-])P(=O)(O)O

InChI

InChI=1S/C11H14O2.C2H5O5P/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;3-2(4)1-8(5,6)7/h1-3,6-7H,4-5,8-9H2,(H,12,13);1H2,(H,3,4)(H2,5,6,7)/p-1