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(2S)-3-hydrazinylidene-2-[1-hydroxy-3,,3-di(phenyl)prop-1-enyl]inden-

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摘 要: (2S)-3-hydrazinylidene-2-[1-hydroxy-3,,3-di(phenyl)prop-1-enyl]inden-1-one,Canonical SMILES: C1=CC=C(C=C1)C(C=C(C2C(=NN)C3=CC=CC=C3C2=O)O)C4=CC=CC=C4,Isomeric SMILES: C1=CC=C(C=C1)C(C=C([C@@H]2C(=NN)C3=CC=CC=C3C2=O)O)C4=CC=CC=C4,InChI: InChI=1/C24H2
[Synonyms]

[Structure]
 (2S)-3-hydrazinylidene-2-[1-hydroxy-3,,3-di(phenyl)prop-1-enyl]inden-

[ Properties Computed from Structure]
Molecular Weight368.4278 [g/mol]
Molecular FormulaC24H20N2O2
XLogP4.8
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count26
Exact Mass368.152478
MonoIsotopic Mass368.152478
Topological Polar Surface Area75.7
Heavy Atom Count28
Formal Charge0
Complexity596
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count2
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2S)-3-hydrazinylidene-2-[1-hydroxy-3,
3-di(phenyl)prop-1-enyl]inden-1-one
Canonical SMILES: C1=CC=C(C=C1)C(C=C(C2C(=NN)C3=CC=CC=C3C2=O)O)C4=CC=CC=C4
Isomeric SMILES: C1=CC=C(C=C1)C(C=C([C@@H]2C(=NN)C3=CC=CC=C3C2=O)O)C4=CC=CC=C4
InChI: InChI=1/C24H20N2O2/c25-26-23-18-13-7-8-14-19(18)24(28)22(23)21(27)15-20
(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,20,22,27H,25H2/t22-/m1/s1

 
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