2,4-diphosphono-2-(4-propan-2-yloxyphenyl)pentanedioic acid

Systemtic Name: 2,4-diphosphono-2-(4-propan-2-yloxyphenyl)pentanedioic acid Openeye Name: 2-(4-isopropoxyphenyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2,4-diphosphono-2-(4-propan-2-yloxyphenyl)pentanedioic acid IUPAC Name: 2,4-diphosphono-2-(4-propan-2-yloxyphenyl)pentanedioic acid Traditional Name: 2-(4-isopropoxyphenyl)-2,4-diphosphono-glutaric acid Formula: C14H20O11P2 MolecularWeight: 426.249522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C14H20O11P2/c1-8(2)25-10-5-3-9(4-6-10)14(13(17)18,27(22,23)24)7-11(12(15)16)26(19,20)21/h3-6,8,11H,7H2,1-2H3,(H,15,16)(H,17,18)(H2,19,20,21)(H2,22,23,24)