4-(4-diethoxyphosphoryl-2-methyl-butan-2-yl)benzene-1,3-diol hydrate

Systemtic Name: 4-(4-diethoxyphosphoryl-2-methyl-butan-2-yl)benzene-1,3-diol hydrate Openeye Name: 4-(3-diethoxyphosphoryl-1,1-dimethyl-propyl)benzene-1,3-diol hydrate CAS Name: 4-(4-diethoxyphosphoryl-2-methylbutan-2-yl)benzene-1,3-diol hydrate IUPAC Name: 4-(4-diethoxyphosphoryl-2-methylbutan-2-yl)benzene-1,3-diol hydrate Traditional Name: 4-(3-diethoxyphosphoryl-1,1-dimethyl-propyl)resorcinol hydrate Formula: C15H27O6P MolecularWeight: 334.345041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC(C)(C)C1=C(C=C(C=C1)O)O)OCC.O

Isomeric SMILES

CCOP(=O)(CCC(C)(C)C1=C(C=C(C=C1)O)O)OCC.O

InChI

InChI=1S/C15H25O5P.H2O/c1-5-19-21(18,20-6-2)10-9-15(3,4)13-8-7-12(16)11-14(13)17;/h7-8,11,16-17H,5-6,9-10H2,1-4H3;1H2