(4-methyl-1-oxidanyl-8-phenyl-1-phosphono-octyl)phosphonic acid

Systemtic Name: (4-methyl-1-oxidanyl-8-phenyl-1-phosphono-octyl)phosphonic acid Openeye Name: (1-hydroxy-4-methyl-8-phenyl-1-phosphono-octyl)phosphonic acid CAS Name: (1-hydroxy-4-methyl-8-phenyl-1-phosphonooctyl)phosphonic acid IUPAC Name: (1-hydroxy-4-methyl-8-phenyl-1-phosphonooctyl)phosphonic acid Traditional Name: (1-hydroxy-4-methyl-8-phenyl-1-phosphono-octyl)phosphonic acid Formula: C15H26O7P2 MolecularWeight: 380.310262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(CCCCC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C15H26O7P2/c1-13(7-5-6-10-14-8-3-2-4-9-14)11-12-15(16,23(17,18)19)24(20,21)22/h2-4,8-9,13,16H,5-7,10-12H2,1H3,(H2,17,18,19)(H2,20,21,22)