1-phenylethyl 3-oxidanyl-5-oxidanylidene-6-phosphonato-hexanoate

Systemtic Name: 1-phenylethyl 3-oxidanyl-5-oxidanylidene-6-phosphonato-hexanoate Openeye Name: 1-phenylethyl 3-hydroxy-5-oxo-6-phosphonato-hexanoate CAS Name: 3-hydroxy-5-oxo-6-phosphonatohexanoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 3-hydroxy-5-oxo-6-phosphonatohexanoate Traditional Name: 3-hydroxy-5-keto-6-phosphonato-hexanoic acid 1-phenylethyl ester Formula: C14H17O7P-2 MolecularWeight: 328.254341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)CC(CC(=O)CP(=O)([O-])[O-])O

Isomeric SMILES

CC(C1=CC=CC=C1)OC(=O)CC(CC(=O)CP(=O)([O-])[O-])O

InChI

InChI=1S/C14H19O7P/c1-10(11-5-3-2-4-6-11)21-14(17)8-12(15)7-13(16)9-22(18,19)20/h2-6,10,12,15H,7-9H2,1H3,(H2,18,19,20)/p-2