CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)OC3=C2C=CC(=C3OC4CCCC4)OC
名称: (8-cyclopentyloxy-7-methoxy-2-oxochromen-4-yl) 4-methylbenzenesulfonate
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)OC3=C2C=CC(=C3OC4CCCC4)OC

Molecular Processing

Molecular formula
C22H22O7S
Molecular weight
430.48
Exact mass
430.1086
XLogP
4.2
TPSA
92.04
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
110.91

Supplementary Information

InChIKey: XMQLCBYKAQUNIE-UHFFFAOYSA-N
同義語
SCHEMBL3680200XMQLCBYKAQUNIE-UHFFFAOYSA-N8-(cyclopentyloxy)-7-methoxy-2-oxo-2H-chromen-4-yl 4-methylbenzenesulfonate
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