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89226-92-6 | 1,4-Naphthalenedione, 5,5'-dithiobis[2,3-dimethoxy-
CAS No: 89226-92-6 Catalog No: AG0042ZI MDL No:
Product Description
Catalog Number:
AG0042ZI
Chemical Name:
1,4-Naphthalenedione, 5,5'-dithiobis[2,3-dimethoxy-
CAS Number:
89226-92-6
Molecular Formula:
C24H18O8S2
Molecular Weight:
498.5249
IUPAC Name:
5-[(6,7-dimethoxy-5,8-dioxonaphthalen-1-yl)disulfanyl]-2,3-dimethoxynaphthalene-1,4-dione
InChI:
InChI=1S/C24H18O8S2/c1-29-21-17(25)11-7-5-9-13(15(11)19(27)23(21)31-3)33-34-14-10-6-8-12-16(14)20(28)24(32-4)22(30-2)18(12)26/h5-10H,1-4H3
InChI Key:
CTHHKSDZFLGZLA-UHFFFAOYSA-N
SMILES:
COC1=C(OC)C(=O)c2c(C1=O)c(ccc2)SSc1cccc2c1C(=O)C(=C(C2=O)OC)OC
Properties
Complexity:
879
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.044g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.52g/mol
Monoisotopic Mass:
498.044g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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