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

Systemtic Name: 2-[2-(5-chloranyl-2-methoxy-phenyl)ethyl]-2,4-diphosphono-pentanedioic acid Openeye Name: 2-[2-(5-chloro-2-methoxy-phenyl)ethyl]-2,4-diphosphono-pentanedioic acid CAS Name: 2-[2-(5-chloro-2-methoxyphenyl)ethyl]-2,4-diphosphonopentanedioic acid IUPAC Name: 2-[2-(5-chloro-2-methoxyphenyl)ethyl]-2,4-diphosphonopentanedioic acid Traditional Name: 2-[2-(5-chloro-2-methoxy-phenyl)ethyl]-2,4-diphosphono-glutaric acid Formula: C14H19ClO11P2 MolecularWeight: 460.694582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClO11P2/c1-26-10-3-2-9(15)6-8(10)4-5-14(13(18)19,28(23,24)25)7-11(12(16)17)27(20,21)22/h2-3,6,11H,4-5,7H2,1H3,(H,16,17)(H,18,19)(H2,20,21,22)(H2,23,24,25)