CCCCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4
Name: (4-phenylmethoxycarbonylphenyl) 6-decoxynaphthalene-2-carboxylate
SMILES: CCCCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4

Molecular Processing

Molecular formula
C35H38O5
Molecular weight
538.68
Exact mass
538.2719
XLogP
8.94
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
15
Heavy atoms
40
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.314
Molar refractivity
159.01

Supplementary Information

InChIKey: HNQQGRPRUBPOHM-UHFFFAOYSA-N
Synonyme
SCHEMBL8537139SCHEMBL9325966HNQQGRPRUBPOHM-UHFFFAOYSA-N4-(6-decyloxy-2-naphthoyloxy)benzoic acid benzyl ester
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