[3-[4-(3,3-diphosphonopropyl)phenyl]-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[4-(3,3-diphosphonopropyl)phenyl]-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[4-(3,3-diphosphonopropyl)phenyl]-1-phosphono-propyl]phosphonic acid CAS Name: [3-[4-(3,3-diphosphonopropyl)phenyl]-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[4-(3,3-diphosphonopropyl)phenyl]-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[4-(3,3-diphosphonopropyl)phenyl]-1-phosphono-propyl]phosphonic acid Formula: C12H22O12P4 MolecularWeight: 482.190924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(P(=O)(O)O)P(=O)(O)O)CCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CCC(P(=O)(O)O)P(=O)(O)O)CCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H22O12P4/c13-25(14,15)11(26(16,17)18)7-5-9-1-2-10(4-3-9)6-8-12(27(19,20)21)28(22,23)24/h1-4,11-12H,5-8H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)