[2-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-1-phosphono-ethyl]phosphonic acid Formula: C13H22O7P2 MolecularWeight: 352.257102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(P(=O)(O)O)P(=O)(O)O)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CC(P(=O)(O)O)P(=O)(O)O)C(C)(C)C)O

InChI

InChI=1S/C13H22O7P2/c1-8-5-9(6-10(12(8)14)13(2,3)4)7-11(21(15,16)17)22(18,19)20/h5-6,11,14H,7H2,1-4H3,(H2,15,16,17)(H2,18,19,20)