[4-[(4-phosphonophenyl)methyl]phenyl]phosphonic acid

Systemtic Name: [4-[(4-phosphonophenyl)methyl]phenyl]phosphonic acid Openeye Name: [4-[(4-phosphonophenyl)methyl]phenyl]phosphonic acid CAS Name: [4-[(4-phosphonophenyl)methyl]phenyl]phosphonic acid IUPAC Name: [4-[(4-phosphonophenyl)methyl]phenyl]phosphonic acid Traditional Name: [4-(4-phosphonobenzyl)phenyl]phosphonic acid Formula: C13H14O6P2 MolecularWeight: 328.194182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H14O6P2/c14-20(15,16)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21(17,18)19/h1-8H,9H2,(H2,14,15,16)(H2,17,18,19)