[3-chloranyl-5-(2-methylheptan-2-yl)-4-oxidanyl-phenyl]phosphonic acid

Systemtic Name: [3-chloranyl-5-(2-methylheptan-2-yl)-4-oxidanyl-phenyl]phosphonic acid Openeye Name: [3-chloro-5-(1,1-dimethylhexyl)-4-hydroxy-phenyl]phosphonic acid CAS Name: [3-chloro-4-hydroxy-5-(2-methylheptan-2-yl)phenyl]phosphonic acid IUPAC Name: [3-chloro-4-hydroxy-5-(2-methylheptan-2-yl)phenyl]phosphonic acid Traditional Name: [3-chloro-5-(1,1-dimethylhexyl)-4-hydroxy-phenyl]phosphonic acid Formula: C14H22ClO4P MolecularWeight: 320.748841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=CC(=C1O)Cl)P(=O)(O)O

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=CC(=C1O)Cl)P(=O)(O)O

InChI

InChI=1S/C14H22ClO4P/c1-4-5-6-7-14(2,3)11-8-10(20(17,18)19)9-12(15)13(11)16/h8-9,16H,4-7H2,1-3H3,(H2,17,18,19)