CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(CCC3(C(=O)OCC)O)(C)C
Nombre: 7-O-(4-ethoxycarbonylphenyl) 1-O-ethyl 1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1,7-dicarboxylate
SMILES: CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(CCC3(C(=O)OCC)O)(C)C

Molecular Processing

Molecular formula
C25H28O7
Molecular weight
440.49
Exact mass
440.1835
XLogP
3.9
TPSA
99.13
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
116.59

Supplementary Information

InChIKey: FKFBLHSMTNGKHQ-UHFFFAOYSA-N
Sinónimos
SCHEMBL6292463FKFBLHSMTNGKHQ-UHFFFAOYSA-N(+/-) ethyl 4-[[(5,5-dimethyl-8-hydroxy-8-(carbethoxy) -5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]oxy]benzoate(+/-) ethyl 4-[[(5,5-dimethyl-8-hydroxy-8-(carbethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]oxy]benzoate(+/-)ethyl 4-[[(5,5-dimethyl-8-hydroxy-8-(carbethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]oxy]benzoate
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