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Naphthalene-1,5-dicarboxylic acid, bis-(4-pentyl-phenyl ester bis(4-pe

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摘 要:Naphthalene-1,5-dicarboxylic acid, bis-(4-pentyl-phenyl ester bis(4-pentylphenyl) naphthalene-1,5-dicarboxylate,Canonical SMILES: CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC3=C2C=CC=C3C(=O)OC4=CC=C(C=C4)CCCCC,InChI: InChI=1/C34H36O4/c1-3-5-7-11-25-17-21-27(22-1
[Synonyms]
Naphthalene-1,5-dicarboxylic acid, bis-(4-pentyl-phenyl ester
[Structure]
Naphthalene-1,5-dicarboxylic acid, bis-(4-pentyl-phenyl ester bis(4-pe

[ Properties Computed from Structure]
Molecular Weight508.64724 [g/mol]
Molecular FormulaC34H36O4
XLogP11.5
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count14
Exact Mass508.26136
MonoIsotopic Mass508.26136
Topological Polar Surface Area52.6
Heavy Atom Count38
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: bis(4-pentylphenyl) naphthalene-1,5-dicarboxylate
Canonical SMILES: CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC3=C2C=CC=C3C(=O)OC4=CC=C(C=C4)CCCCC
InChI: InChI=1/C34H36O4/c1-3-5-7-11-25-17-21-27(22-18-25)37-33(35)31-15-9-14-
30-29(31)13-10-16-32(30)34(36)38-28-23-19-26(20-24-28)12-8-6-4-2/h9-10,
13-24H,3-8,11-12H2,1-2H3

 
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