CCOC(=O)C1=CC=C(C=C1)N=NC2=CC3=C(C=C2)C(CCC3O)(C)C
이름: ethyl 4-[(8-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)diazenyl]benzoate
SMILES: CCOC(=O)C1=CC=C(C=C1)N=NC2=CC3=C(C=C2)C(CCC3O)(C)C

Molecular Processing

Molecular formula
C21H24N2O3
Molecular weight
352.43
Exact mass
352.1787
XLogP
5.38
TPSA
71.25
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
100.24

Supplementary Information

InChIKey: JJVMEXLIHNQVTO-UHFFFAOYSA-N
동의어
SCHEMBL6292739SCHEMBL6292740JJVMEXLIHNQVTO-UHFFFAOYSA-N(+/-) Ethyl 4-[(5,5-dimethyl-8-hydroxy-5,6,7,8-tetrahydronaphthalen -2-yl)azo]benzoate(+/-) Ethyl 4-[(5,5-dimethyl-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)azo]benzoate(+/-) Ethyl 4-[(5,5-dimethyl-8hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)azo]benzoate(+/-) Ethyl 4[(5,5-dimethyl-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)azo]benzoateethyl 4-[(5,5-dimethyl-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)azo]benzoate
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