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15856-33-4 | 2H-Naphtho[2,3-b]thiete, 2-[(4-methoxyphenyl)methylene]-3,8-diphenyl-, 1,1-dioxide
CAS No: 15856-33-4 Catalog No: AG001QAJ MDL No:
Product Description
Catalog Number:
AG001QAJ
Chemical Name:
2H-Naphtho[2,3-b]thiete, 2-[(4-methoxyphenyl)methylene]-3,8-diphenyl-, 1,1-dioxide
CAS Number:
15856-33-4
Molecular Formula:
C31H22O3S
Molecular Weight:
474.5696
IUPAC Name:
2-[(4-methoxyphenyl)methylidene]-3,8-diphenylnaphtho[2,3-b]thiete 1,1-dioxide
InChI:
InChI=1S/C31H22O3S/c1-34-24-18-16-21(17-19-24)20-27-30-28(22-10-4-2-5-11-22)25-14-8-9-15-26(25)29(31(30)35(27,32)33)23-12-6-3-7-13-23/h2-20H,1H3
InChI Key:
MIHCWVNCQGHTOO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C1c2c(c3ccccc3)c3ccccc3c(c2S1(=O)=O)c1ccccc1
Properties
Complexity:
852
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.129g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
474.574g/mol
Monoisotopic Mass:
474.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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