2-[(2-chloranyl-4-phosphonato-phenyl)-oxidanyl-methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(2-chloranyl-4-phosphonato-phenyl)-oxidanyl-methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(2-chloro-4-phosphonato-phenyl)-hydroxy-methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2-chloro-4-phosphonatophenyl)-hydroxymethylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(2-chloro-4-phosphonatophenyl)-hydroxymethylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(2-chloro-4-phosphonato-phenyl)-hydroxy-methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C15H14ClO6P-2 MolecularWeight: 356.694821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(C2=C(C=C(C=C2)P(=O)([O-])[O-])Cl)O)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=C(C2=C(C=C(C=C2)P(=O)([O-])[O-])Cl)O)C(=O)C1)C

InChI

InChI=1S/C15H16ClO6P/c1-15(2)6-11(17)13(12(18)7-15)14(19)9-4-3-8(5-10(9)16)23(20,21)22/h3-5,19H,6-7H2,1-2H3,(H2,20,21,22)/p-2