Название: ethyl 4-(4-acetyl-8-acetyloxytridec-12-enyl)benzoate
SMILES:
CCOC(=O)C1=CC=C(C=C1)CCCC(CCCC(CCCC=C)OC(=O)C)C(=O)CMolecular Processing
Molecular formula
C26H38O5
Molecular weight
430.59
Exact mass
430.2719
XLogP
5.85
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
16
Heavy atoms
31
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.577
Molar refractivity
122.96
Supplementary Information
InChIKey: MUPZSWSTYVKBOZ-UHFFFAOYSA-N
Синонимы
SCHEMBL11545304MUPZSWSTYVKBOZ-UHFFFAOYSA-Nethyl 4-(4-acetyl-8-acetoxytridec-12-en-1-yl)benzoate
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