[3-[2-(3-phosphonophenyl)ethyl]phenyl]phosphonic acid

Systemtic Name: [3-[2-(3-phosphonophenyl)ethyl]phenyl]phosphonic acid Openeye Name: [3-[2-(3-phosphonophenyl)ethyl]phenyl]phosphonic acid CAS Name: [3-[2-(3-phosphonophenyl)ethyl]phenyl]phosphonic acid IUPAC Name: [3-[2-(3-phosphonophenyl)ethyl]phenyl]phosphonic acid Traditional Name: [3-[2-(3-phosphonophenyl)ethyl]phenyl]phosphonic acid Formula: C14H16O6P2 MolecularWeight: 342.220762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)P(=O)(O)O)CCC2=CC(=CC=C2)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC(=C1)P(=O)(O)O)CCC2=CC(=CC=C2)P(=O)(O)O

InChI

InChI=1S/C14H16O6P2/c15-21(16,17)13-5-1-3-11(9-13)7-8-12-4-2-6-14(10-12)22(18,19)20/h1-6,9-10H,7-8H2,(H2,15,16,17)(H2,18,19,20)