[2-[4-(2-methylpropyl)phenyl]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [2-[4-(2-methylpropyl)phenyl]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-2-(4-isobutylphenyl)-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-2-[4-(2-methylpropyl)phenyl]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[4-(2-methylpropyl)phenyl]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-2-(4-isobutylphenyl)-1-phosphono-propyl]phosphonic acid Formula: C13H22O7P2 MolecularWeight: 352.257102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O7P2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14,21(15,16)17)22(18,19)20/h4-7,9-10,14H,8H2,1-3H3,(H2,15,16,17)(H2,18,19,20)