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828934-97-0 | Benzoic acid, 2,2'-[(1,10-dioxo-1,10-decanediyl)bis(thio)]bis-
CAS No: 828934-97-0 Catalog No: AG004VE0 MDL No:
Product Description
Catalog Number:
AG004VE0
Chemical Name:
Benzoic acid, 2,2'-[(1,10-dioxo-1,10-decanediyl)bis(thio)]bis-
CAS Number:
828934-97-0
Molecular Formula:
C24H26O6S2
Molecular Weight:
474.5896
IUPAC Name:
2-[10-(2-carboxyphenyl)sulfanyl-10-oxodecanoyl]sulfanylbenzoic acid
InChI:
InChI=1S/C24H26O6S2/c25-21(31-19-13-9-7-11-17(19)23(27)28)15-5-3-1-2-4-6-16-22(26)32-20-14-10-8-12-18(20)24(29)30/h7-14H,1-6,15-16H2,(H,27,28)(H,29,30)
InChI Key:
CELAQQLQLGMEEG-UHFFFAOYSA-N
SMILES:
O=C(Sc1ccccc1C(=O)O)CCCCCCCCC(=O)Sc1ccccc1C(=O)O
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.117g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
474.586g/mol
Monoisotopic Mass:
474.117g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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