2-cycloheptyl-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-cycloheptyl-2,4-diphosphono-pentanedioic acid Openeye Name: 2-cycloheptyl-2,4-diphosphono-pentanedioic acid CAS Name: 2-cycloheptyl-2,4-diphosphonopentanedioic acid IUPAC Name: 2-cycloheptyl-2,4-diphosphonopentanedioic acid Traditional Name: 2-cycloheptyl-2,4-diphosphono-glutaric acid Formula: C12H22O10P2 MolecularWeight: 388.244602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

C1CCCC(CC1)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C12H22O10P2/c13-10(14)9(23(17,18)19)7-12(11(15)16,24(20,21)22)8-5-3-1-2-4-6-8/h8-9H,1-7H2,(H,13,14)(H,15,16)(H2,17,18,19)(H2,20,21,22)