(E)-4-[(3,4-dimethylphenyl)methoxy]-4-oxidanyl-but-3-en-2-one; dimethyl phosphate

Systemtic Name: (E)-4-[(3,4-dimethylphenyl)methoxy]-4-oxidanyl-but-3-en-2-one; dimethyl phosphate Openeye Name: (E)-4-[(3,4-dimethylphenyl)methoxy]-4-hydroxy-but-3-en-2-one; dimethyl phosphate CAS Name: (E)-4-[(3,4-dimethylphenyl)methoxy]-4-hydroxy-3-buten-2-one; dimethyl phosphate IUPAC Name: (E)-4-[(3,4-dimethylphenyl)methoxy]-4-hydroxybut-3-en-2-one; dimethyl phosphate Traditional Name: (E)-4-(3,4-dimethylbenzyl)oxy-4-hydroxy-but-3-en-2-one; dimethyl phosphate Formula: C15H22O7P- MolecularWeight: 345.304741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)COC(=CC(=O)C)O)C.COP(=O)([O-])OC

Isomeric SMILES

CC1=C(C=C(C=C1)CO/C(=C/C(=O)C)/O)C.COP(=O)([O-])OC

InChI

InChI=1S/C13H16O3.C2H7O4P/c1-9-4-5-12(6-10(9)2)8-16-13(15)7-11(3)14;1-5-7(3,4)6-2/h4-7,15H,8H2,1-3H3;1-2H3,(H,3,4)/p-1/b13-7+;