2-(5-chloranyl-2-methoxy-phenyl)-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(5-chloro-2-methoxyphenyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-2,4-diphosphono-glutaric acid Formula: C12H15ClO11P2 MolecularWeight: 432.641422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C12H15ClO11P2/c1-24-8-3-2-6(13)4-7(8)12(11(16)17,26(21,22)23)5-9(10(14)15)25(18,19)20/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)