[3-[3-(methoxymethyl)-4-(oxan-2-yloxy)phenyl]-2-oxidanylidene-propyl]phosphonic acid

Systemtic Name: [3-[3-(methoxymethyl)-4-(oxan-2-yloxy)phenyl]-2-oxidanylidene-propyl]phosphonic acid Openeye Name: [3-[3-(methoxymethyl)-4-tetrahydropyran-2-yloxy-phenyl]-2-oxo-propyl]phosphonic acid CAS Name: [3-[3-(methoxymethyl)-4-(2-oxanyloxy)phenyl]-2-oxopropyl]phosphonic acid IUPAC Name: [3-[3-(methoxymethyl)-4-(oxan-2-yloxy)phenyl]-2-oxopropyl]phosphonic acid Traditional Name: [2-keto-3-[3-(methoxymethyl)-4-tetrahydropyran-2-yloxy-phenyl]propyl]phosphonic acid Formula: C16H23O7P MolecularWeight: 358.323381

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=CC(=C1)CC(=O)CP(=O)(O)O)OC2CCCCO2

Isomeric SMILES

COCC1=C(C=CC(=C1)CC(=O)CP(=O)(O)O)OC2CCCCO2

InChI

InChI=1S/C16H23O7P/c1-21-10-13-8-12(9-14(17)11-24(18,19)20)5-6-15(13)23-16-4-2-3-7-22-16/h5-6,8,16H,2-4,7,9-11H2,1H3,(H2,18,19,20)