CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CP(=O)(OC)OC)O
Name: 6-(4-dimethoxyphosphoryl-3-methylbut-2-enyl)-7-hydroxy-5-methoxy-4-methyl-3H-2-benzofuran-1-one
SMILES: CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CP(=O)(OC)OC)O

Molecular Processing

Molecular formula
C17H23O7P
Molecular weight
370.34
Exact mass
370.1181
XLogP
3.35
TPSA
91.29
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
92.47

Supplementary Information

InChIKey: KPOOKSMWSHKVEC-UHFFFAOYSA-N
Synonyms
SCHEMBL1374436KPOOKSMWSHKVEC-UHFFFAOYSA-N[4-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-methyl-but-2-enyl]-phosphonic Acid Dimethyl Ester
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Involved in 19 reactions→

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