CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=CCC3(C)C)OC(=O)C
이름: ethyl 4-[2-(5-acetyloxy-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoate
SMILES: CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=CCC3(C)C)OC(=O)C

Molecular Processing

Molecular formula
C25H24O4
Molecular weight
388.46
Exact mass
388.1675
XLogP
4.85
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
112.21

Supplementary Information

InChIKey: WOKBXJDAVHFJRL-UHFFFAOYSA-N
동의어
SCHEMBL8772615WOKBXJDAVHFJRL-UHFFFAOYSA-NEthyl 4-[(5-acetoxy-7,8-dihydro-8,8-dimethylnaphth-2-yl)ethynyl]benzoate
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