[2-methoxy-1-(4-phenylmethoxyphenoxy)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-methoxy-1-(4-phenylmethoxyphenoxy)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-(4-benzyloxyphenoxy)-2-methoxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-methoxy-1-(4-phenylmethoxyphenoxy)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-methoxy-1-(4-phenylmethoxyphenoxy)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-(4-benzoxyphenoxy)-2-methoxy-1-phosphono-ethyl]phosphonic acid Formula: C16H20O9P2 MolecularWeight: 418.272122

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Descriptors Computed from Structure

Canonical SMILES:

COCC(OC1=CC=C(C=C1)OCC2=CC=CC=C2)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

COCC(OC1=CC=C(C=C1)OCC2=CC=CC=C2)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C16H20O9P2/c1-23-12-16(26(17,18)19,27(20,21)22)25-15-9-7-14(8-10-15)24-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,17,18,19)(H2,20,21,22)