sodium 2-[4-[phenoxy(phenylcarbonyloxy)phosphoryl]oxyphenoxy]ethanoic acid

Systemtic Name: sodium 2-[4-[phenoxy(phenylcarbonyloxy)phosphoryl]oxyphenoxy]ethanoic acid Openeye Name: sodium 2-[4-[benzoyloxy(phenoxy)phosphoryl]oxyphenoxy]acetic acid CAS Name: sodium 2-[4-[benzoyloxy(phenoxy)phosphoryl]oxyphenoxy]acetic acid IUPAC Name: sodium 2-[4-[benzoyloxy(phenoxy)phosphoryl]oxyphenoxy]acetic acid Traditional Name: sodium 2-[4-[benzoyloxy(phenoxy)phosphoryl]oxyphenoxy]acetic acid Formula: C21H17NaO8P+ MolecularWeight: 451.318411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)OCC(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)OCC(=O)O.[Na+]

InChI

InChI=1S/C21H17O8P.Na/c22-20(23)15-26-17-11-13-19(14-12-17)28-30(25,27-18-9-5-2-6-10-18)29-21(24)16-7-3-1-4-8-16;/h1-14H,15H2,(H,22,23);/q;+1