4-phenyl-4-phosphonato-butanoic acid; triethylazanium

Systemtic Name: 4-phenyl-4-phosphonato-butanoic acid; triethylazanium Openeye Name: 4-phenyl-4-phosphonato-butanoic acid; triethylammonium CAS Name: 4-phenyl-4-phosphonatobutanoic acid; triethylammonium IUPAC Name: 4-phenyl-4-phosphonatobutanoic acid; triethylazanium Traditional Name: 4-phenyl-4-phosphonato-butyric acid; triethylammonium Formula: C22H43N2O5P MolecularWeight: 446.560981

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC[NH+](CC)CC.C1=CC=C(C=C1)C(CCC(=O)O)P(=O)([O-])[O-]

Isomeric SMILES

CC[NH+](CC)CC.CC[NH+](CC)CC.C1=CC=C(C=C1)C(CCC(=O)O)P(=O)([O-])[O-]

InChI

InChI=1S/C10H13O5P.2C6H15N/c11-10(12)7-6-9(16(13,14)15)8-4-2-1-3-5-8;2*1-4-7(5-2)6-3/h1-5,9H,6-7H2,(H,11,12)(H2,13,14,15);2*4-6H2,1-3H3