CC1(CCC(C2=C1C=C3C=CC(=CC3=C2)C4=CC(=C(C=C4)C(=O)OC)O)(C)C)C
이름: methyl 2-hydroxy-4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)benzoate
SMILES: CC1(CCC(C2=C1C=C3C=CC(=CC3=C2)C4=CC(=C(C=C4)C(=O)OC)O)(C)C)C

Molecular Processing

Molecular formula
C26H28O3
Molecular weight
388.51
Exact mass
388.2038
XLogP
6.35
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
117.67

Supplementary Information

InChIKey: PVYDDRSBWCUWSW-UHFFFAOYSA-N
동의어
SCHEMBL8660116PVYDDRSBWCUWSW-UHFFFAOYSA-Nmethyl 2-hydroxy-4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthryl)benzoate
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