[3-(phenylcarbonyl)-1,5,5-triphosphono-pentyl]phosphonic acid

Systemtic Name: [3-(phenylcarbonyl)-1,5,5-triphosphono-pentyl]phosphonic acid Openeye Name: (3-benzoyl-1,5,5-triphosphono-pentyl)phosphonic acid CAS Name: (3-benzoyl-1,5,5-triphosphonopentyl)phosphonic acid IUPAC Name: (3-benzoyl-1,5,5-triphosphonopentyl)phosphonic acid Traditional Name: (3-benzoyl-1,5,5-triphosphono-pentyl)phosphonic acid Formula: C12H20O13P4 MolecularWeight: 496.174444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O13P4/c13-12(8-4-2-1-3-5-8)9(6-10(26(14,15)16)27(17,18)19)7-11(28(20,21)22)29(23,24)25/h1-5,9-11H,6-7H2,(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)