[2-(3,4-dichlorophenyl)-1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3,4-dichlorophenyl)-1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3,4-dichlorophenyl)-1-(4-hydroxyphenoxy)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3,4-dichlorophenyl)-1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3,4-dichlorophenyl)-1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3,4-dichlorophenyl)-1-(4-hydroxyphenoxy)-1-phosphono-ethyl]phosphonic acid Formula: C14H14Cl2O8P2 MolecularWeight: 443.109682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)OC(CC2=CC(=C(C=C2)Cl)Cl)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1O)OC(CC2=CC(=C(C=C2)Cl)Cl)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H14Cl2O8P2/c15-12-6-1-9(7-13(12)16)8-14(25(18,19)20,26(21,22)23)24-11-4-2-10(17)3-5-11/h1-7,17H,8H2,(H2,18,19,20)(H2,21,22,23)