이름: (7-methylsulfonyl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate
SMILES:
CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C=C(C=C3)S(=O)(=O)CMolecular Processing
Molecular formula
C18H20O6S2
Molecular weight
396.49
Exact mass
396.0701
XLogP
2.5
TPSA
86.74
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
96.61
Supplementary Information
InChIKey: DPXPSYDMCQULPQ-UHFFFAOYSA-N
동의어
SCHEMBL1018563DPXPSYDMCQULPQ-UHFFFAOYSA-N[7-(methylsulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate
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