이름: methyl 5-[1-(3-iodo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-vinyl]-3-thiophenecarboxylate
SMILES:
C=C(COc1cc2c(cc1I)C(C)(C)CCC2(C)C)c1cc(C(=O)OC)cs1Molecular Processing
Molecular formula
C23H27IO3S
Molecular weight
510.44
Exact mass
510.0726
XLogP
6.58
TPSA
35.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
124.63
Supplementary Information
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