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89227-10-1 | 1,4-Naphthalenedione, 5-(dodecylthio)-2,3-dimethoxy-
CAS No: 89227-10-1 Catalog No: AG0044LH MDL No:
Product Description
Catalog Number:
AG0044LH
Chemical Name:
1,4-Naphthalenedione, 5-(dodecylthio)-2,3-dimethoxy-
CAS Number:
89227-10-1
Molecular Formula:
C24H34O4S
Molecular Weight:
418.5894
IUPAC Name:
5-dodecylsulfanyl-2,3-dimethoxynaphthalene-1,4-dione
InChI:
InChI=1S/C24H34O4S/c1-4-5-6-7-8-9-10-11-12-13-17-29-19-16-14-15-18-20(19)22(26)24(28-3)23(27-2)21(18)25/h14-16H,4-13,17H2,1-3H3
InChI Key:
XYAARKFFTFMBDJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSc1cccc2c1C(=O)C(=C(C2=O)OC)OC
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.218g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.592g/mol
Monoisotopic Mass:
418.218g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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