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NCIOpen2_007459,NSC55806,AIDS124888,AIDS-124888,NSC 55806,9-Phenyl-9H-

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摘 要:NCIOpen2_007459,NSC55806,AIDS124888,AIDS-124888,NSC 55806,9-Phenyl-9H-thioxanthen-9-ol 10,10-dioxide,Thioxanthen-9-ol, 9-phenol-, 10,10-dioxide,6630-81-5, 10,10-dioxo-9-phenylthioxanthen-9-ol,Canonical SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3S(=O)(=O)C4=C
[Synonyms]
NCIOpen2_007459
NSC55806
AIDS124888
AIDS-124888
NSC 55806
9-Phenyl-9H-thioxanthen-9-ol 10,10-dioxide
Thioxanthen-9-ol, 9-phenol-, 10,10-dioxide
6630-81-5

[Structure]
NCIOpen2_007459,NSC55806,AIDS124888,AIDS-124888,NSC 55806,9-Phenyl-9H-

[ Properties Computed from Structure]
Molecular Weight322.37766 [g/mol]
Molecular FormulaC19H14O3S
XLogP3.7
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count1
Exact Mass322.066365
MonoIsotopic Mass322.066365
Topological Polar Surface Area54.4
Heavy Atom Count23
Formal Charge0
Complexity499
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: 10,10-dioxo-9-phenylthioxanthen-9-ol
Canonical SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C42)O
InChI: InChI=1/C19H14O3S/c20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)23(21,
22)18-13-7-5-11-16(18)19/h1-13,20H

 
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