[2-(4-iodophenyl)-1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(4-iodophenyl)-1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-(4-hydroxyphenoxy)-2-(4-iodophenyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-(4-hydroxyphenoxy)-2-(4-iodophenyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-(4-hydroxyphenoxy)-2-(4-iodophenyl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-(4-hydroxyphenoxy)-2-(4-iodophenyl)-1-phosphono-ethyl]phosphonic acid Formula: C14H15IO8P2 MolecularWeight: 500.116092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(OC2=CC=C(C=C2)O)(P(=O)(O)O)P(=O)(O)O)I

Isomeric SMILES

C1=CC(=CC=C1CC(OC2=CC=C(C=C2)O)(P(=O)(O)O)P(=O)(O)O)I

InChI

InChI=1S/C14H15IO8P2/c15-11-3-1-10(2-4-11)9-14(24(17,18)19,25(20,21)22)23-13-7-5-12(16)6-8-13/h1-8,16H,9H2,(H2,17,18,19)(H2,20,21,22)